2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.

Benzoxazinones

Organic compounds

Organoheterocyclic compounds

Benzoxazines

Benzoxazinones

Calculated Property

kind Value Source
logP 0.13 ALOGPS
logS -0.93 ALOGPS
Water Solubility 2.46e+01 g/l ALOGPS
logP -0.055 ChemAxon
IUPAC Name (2R)-2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon
Traditional IUPAC Name (2R)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3-one ChemAxon
Molecular Weight 211.1715 ChemAxon
Monoisotopic Weight 211.048072403 ChemAxon
SMILES [H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O ChemAxon
Molecular Formula C9H9NO5 ChemAxon
InChI InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1 ChemAxon
InChIKey InChIKey=GDNZNIJPBQATCZ-SECBINFHSA-N ChemAxon
Polar Surface Area (PSA) 79.23 ChemAxon
Refractivity 48.47 ChemAxon
Polarizability 19.33 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 7.85 ChemAxon
pKa (strongest basic) -4.6 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Lactase-like protein : in Human