(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

C13H10O6 — CID 14094133

IUPAC(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1cccc(O)c1O
InChIInChI=1S/C13H10O6/c14-8-3-1-2-7(12(8)18)11(17)6-4-9(15)13(19)10(16)5-6/h1-5,14-16,18-19H
InChIKeyLMZNOSFQBKBMNN-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.45
Rot. Bonds2

About (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone

(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (PubChem CID 14094133) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
PubChem CID14094133
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1cccc(O)c1O
InChIInChI=1S/C13H10O6/c14-8-3-1-2-7(12(8)18)11(17)6-4-9(15)13(19)10(16)5-6/h1-5,14-16,18-19H
InChIKeyLMZNOSFQBKBMNN-UHFFFAOYSA-N
XLogP1.45
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.45
H-Bond Donors ≤ 55
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

(2,4,5-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 21446297
(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone
CID 155516110
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
CID 3079411
2,3-dihydroxybenzoyl bromide
CID 141115203
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
(2,3-dihydroxyphenyl)-phenylmethanone;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 68741991
benzene-1,2,3-triol
CID 87074018
(2,3-dihydroxyphenyl)-(2,3,4,5,6-pentahydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4,5,6-pentahydroxyphenyl)methanone;(2,3,4,6-tetrahydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,3,4,6-tetrahydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone;(2,3,5,6-tetrahydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,3,5,6-tetrahydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 161375708
(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 19910307
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 139707986
(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
CID 151078353

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The IUPAC name of (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone (CID 14094133) is (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone.
What is the SMILES notation for (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The canonical SMILES for (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is O=C(c1cc(O)c(O)c(O)c1)c1cccc(O)c1O.
What is the InChIKey of (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
The InChIKey is LMZNOSFQBKBMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c14-8-3-1-2-7(12(8)18)11(17)6-4-9(15)13(19)10(16)5-6/h1-5,14-16,18-19H.
What are the key properties of (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone?
(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone has a molecular weight of 262.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is sourced from PubChem (CID 14094133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).