3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid

C15H11ClO4 — CID 151242683

IUPAC3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid
SMILESO=C(Cc1ccccc1)c1ccc(Cl)c(O)c1C(=O)O
InChIInChI=1S/C15H11ClO4/c16-11-7-6-10(13(14(11)18)15(19)20)12(17)8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20)
InChIKeyNQQRNUDGUZCLFF-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.17
Rot. Bonds4

About 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid

3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid (PubChem CID 151242683) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid
PubChem CID151242683
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid
SMILESO=C(Cc1ccccc1)c1ccc(Cl)c(O)c1C(=O)O
InChIInChI=1S/C15H11ClO4/c16-11-7-6-10(13(14(11)18)15(19)20)12(17)8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20)
InChIKeyNQQRNUDGUZCLFF-UHFFFAOYSA-N
XLogP3.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-hydroxybenzoic acid
CID 162211371
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
CID 106971887
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid?
The IUPAC name of 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid (CID 151242683) is 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid.
What is the SMILES notation for 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid?
The canonical SMILES for 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid is O=C(Cc1ccccc1)c1ccc(Cl)c(O)c1C(=O)O.
What is the InChIKey of 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid?
The InChIKey is NQQRNUDGUZCLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c16-11-7-6-10(13(14(11)18)15(19)20)12(17)8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20).
What are the key properties of 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid?
3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid has a molecular weight of 290.70 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid is sourced from PubChem (CID 151242683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).