(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

C14H12O7 — CID 19910404

IUPAC(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(O)cc(O)cc2O)c(O)c1O
InChIInChI=1S/C14H12O7/c1-21-10-3-2-7(13(19)14(10)20)12(18)11-8(16)4-6(15)5-9(11)17/h2-5,15-17,19-20H,1H3
InChIKeyPKJVBOQJHMYKEI-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.45
Rot. Bonds3

About (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone (PubChem CID 19910404) has the molecular formula C14H12O7 and a molecular weight of 292.24 g/mol. Its IUPAC name is (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
PubChem CID19910404
Molecular FormulaC14H12O7
Molecular Weight292.24 g/mol
Exact Mass292.06
IUPAC Name(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(O)cc(O)cc2O)c(O)c1O
InChIInChI=1S/C14H12O7/c1-21-10-3-2-7(13(19)14(10)20)12(18)11-8(16)4-6(15)5-9(11)17/h2-5,15-17,19-20H,1H3
InChIKeyPKJVBOQJHMYKEI-UHFFFAOYSA-N
XLogP1.45
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 19910328
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
(2,4-dihydroxyphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 66596654
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
[4-(2,3-dihydroxy-4-methoxybenzoyl)-2,6-dihydroxyphenyl] benzoate
CID 129260019
2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 71370456
(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
CID 23757122
bis(2,4,6-trihydroxyphenyl)methanone;(2,3,5-trihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone;bis((2,4,5-trihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone)
CID 158519413
2-hydroxy-3-(2-hydroxy-4-methoxybenzoyl)-6-methoxybenzenesulfonic acid
CID 23208531
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
The IUPAC name of (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone (CID 19910404) is (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone.
What is the SMILES notation for (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
The canonical SMILES for (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone is COc1ccc(C(=O)c2c(O)cc(O)cc2O)c(O)c1O.
What is the InChIKey of (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
The InChIKey is PKJVBOQJHMYKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O7/c1-21-10-3-2-7(13(19)14(10)20)12(18)11-8(16)4-6(15)5-9(11)17/h2-5,15-17,19-20H,1H3.
What are the key properties of (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone has a molecular weight of 292.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone is sourced from PubChem (CID 19910404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).