(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone

C13H9ClO4 — CID 139940641

IUPAC(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone
SMILESO=C(c1ccccc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C13H9ClO4/c14-9-4-2-1-3-7(9)11(16)8-5-6-10(15)13(18)12(8)17/h1-6,15,17-18H
InChIKeyOYGLEIYIZTVCJL-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.69
Rot. Bonds2

About (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone

(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone (PubChem CID 139940641) has the molecular formula C13H9ClO4 and a molecular weight of 264.66 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone
PubChem CID139940641
Molecular FormulaC13H9ClO4
Molecular Weight264.66 g/mol
Exact Mass264.02
IUPAC Name(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone
SMILESO=C(c1ccccc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C13H9ClO4/c14-9-4-2-1-3-7(9)11(16)8-5-6-10(15)13(18)12(8)17/h1-6,15,17-18H
InChIKeyOYGLEIYIZTVCJL-UHFFFAOYSA-N
XLogP2.69
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-chloro-2-hydroxybenzoyl)benzoic acid
CID 15932724
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
(2,3-dihydroxy-4-methoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 19910328
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-chlorophenyl)-(2,4-dibromophenyl)methanone
CID 107944284
(3-hydroxy-4-pyridinyl)-(2,3,4-trihydroxyphenyl)methanone
CID 135827979
(2,3-dichloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
CID 13015711
2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
CID 21083111
(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194
(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
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
carbonic acid;2-chlorophenol
CID 163958261

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone?
The IUPAC name of (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone (CID 139940641) is (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone is O=C(c1ccccc1Cl)c1ccc(O)c(O)c1O.
What is the InChIKey of (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone?
The InChIKey is OYGLEIYIZTVCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO4/c14-9-4-2-1-3-7(9)11(16)8-5-6-10(15)13(18)12(8)17/h1-6,15,17-18H.
What are the key properties of (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone?
(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone has a molecular weight of 264.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone is sourced from PubChem (CID 139940641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).