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

C14H12O7 — CID 19910328

IUPAC(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(O)c(O)c2O)c(O)c1O
InChIInChI=1S/C14H12O7/c1-21-9-5-3-7(12(18)14(9)20)10(16)6-2-4-8(15)13(19)11(6)17/h2-5,15,17-20H,1H3
InChIKeyOQASVDPINGZMSZ-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.45
Rot. Bonds3

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

(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone (PubChem CID 19910328) has the molecular formula C14H12O7 and a molecular weight of 292.24 g/mol. Its IUPAC name is (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
PubChem CID19910328
Molecular FormulaC14H12O7
Molecular Weight292.24 g/mol
Exact Mass292.06
IUPAC Name(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(O)c(O)c2O)c(O)c1O
InChIInChI=1S/C14H12O7/c1-21-9-5-3-7(12(18)14(9)20)10(16)6-2-4-8(15)13(19)11(6)17/h2-5,15,17-20H,1H3
InChIKeyOQASVDPINGZMSZ-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)-(2,4,6-trihydroxyphenyl)methanone
CID 19910404
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
2-hydroxy-6-(3-hydroxy-4-methoxy-2-sulfobenzoyl)-3-methoxybenzenesulfonic acid
CID 21477999
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
(2,4-dihydroxyphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 66596654
[4-(2,3-dihydroxy-4-methoxybenzoyl)-2,6-dihydroxyphenyl] benzoate
CID 129260019
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 139940641
(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 122601329
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
(2-fluorophenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 15750347

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
The IUPAC name of (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone (CID 19910328) is (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone.
What is the SMILES notation for (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
The canonical SMILES for (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone is COc1ccc(C(=O)c2ccc(O)c(O)c2O)c(O)c1O.
What is the InChIKey of (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
The InChIKey is OQASVDPINGZMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O7/c1-21-9-5-3-7(12(18)14(9)20)10(16)6-2-4-8(15)13(19)11(6)17/h2-5,15,17-20H,1H3.
What are the key properties of (2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone?
(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-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)-(2,3,4-trihydroxyphenyl)methanone is sourced from PubChem (CID 19910328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).