(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

C14H12O6 — CID 139707986

IUPAC(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cc(O)c(O)c(O)c2)c1
InChIInChI=1S/C14H12O6/c1-20-8-2-3-10(15)9(6-8)13(18)7-4-11(16)14(19)12(17)5-7/h2-6,15-17,19H,1H3
InChIKeyHWJVANASFVMAIG-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.75
Rot. Bonds3

About (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (PubChem CID 139707986) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
PubChem CID139707986
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cc(O)c(O)c(O)c2)c1
InChIInChI=1S/C14H12O6/c1-20-8-2-3-10(15)9(6-8)13(18)7-4-11(16)14(19)12(17)5-7/h2-6,15-17,19H,1H3
InChIKeyHWJVANASFVMAIG-UHFFFAOYSA-N
XLogP1.75
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
(2-hydroxy-5-methoxyphenyl)-(4-iodophenyl)methanone;4-iodobenzoyl chloride
CID 87794308
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543
1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 58728327
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 21446297
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
CID 107845895

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (CID 139707986) is (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is COc1ccc(O)c(C(=O)c2cc(O)c(O)c(O)c2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The InChIKey is HWJVANASFVMAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-20-8-2-3-10(15)9(6-8)13(18)7-4-11(16)14(19)12(17)5-7/h2-6,15-17,19H,1H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone has a molecular weight of 276.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is sourced from PubChem (CID 139707986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).