1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone

C10H12O5 — CID 91352605

IUPAC1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone
SMILESCOc1cc(O)c(C)c(O)c1C(=O)CO
InChIInChI=1S/C10H12O5/c1-5-6(12)3-8(15-2)9(10(5)14)7(13)4-11/h3,11-12,14H,4H2,1-2H3
InChIKeyXYVNPMCIILFTFE-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.59
Rot. Bonds3

About 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone

1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone (PubChem CID 91352605) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone
PubChem CID91352605
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone
SMILESCOc1cc(O)c(C)c(O)c1C(=O)CO
InChIInChI=1S/C10H12O5/c1-5-6(12)3-8(15-2)9(10(5)14)7(13)4-11/h3,11-12,14H,4H2,1-2H3
InChIKeyXYVNPMCIILFTFE-UHFFFAOYSA-N
XLogP0.59
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)hexadecan-1-one
CID 171120738
4-butyl-5-methoxy-2-methylbenzene-1,3-diol
CID 143238612
5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol
CID 130034016
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxyethanone
CID 118056126
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
CID 15747330
methyl 2,6-dihydroxy-4-(2-hydroxy-4,6-dimethoxy-3-methylbenzoyl)oxy-3-methylbenzoate
CID 100921037
butyl 4-hydroxy-6-methoxy-2,3-dimethylbenzoate
CID 176829282
1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one
CID 162821469
1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone
CID 46894081
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-methylphenyl)propan-1-one
CID 118655300

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone?
The IUPAC name of 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone (CID 91352605) is 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone is COc1cc(O)c(C)c(O)c1C(=O)CO.
What is the InChIKey of 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone?
The InChIKey is XYVNPMCIILFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-6(12)3-8(15-2)9(10(5)14)7(13)4-11/h3,11-12,14H,4H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone?
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone has a molecular weight of 212.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 91352605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).