3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid

C14H11ClO3 — CID 23456936

IUPAC3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(Cc2ccccc2Cl)c1O
InChIInChI=1S/C14H11ClO3/c15-12-7-2-1-4-9(12)8-10-5-3-6-11(13(10)16)14(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyYBPAZCAASLYDCM-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.33
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid

3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid (PubChem CID 23456936) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
PubChem CID23456936
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(Cc2ccccc2Cl)c1O
InChIInChI=1S/C14H11ClO3/c15-12-7-2-1-4-9(12)8-10-5-3-6-11(13(10)16)14(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyYBPAZCAASLYDCM-UHFFFAOYSA-N
XLogP3.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid (CID 23456936) is 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid is O=C(O)c1cccc(Cc2ccccc2Cl)c1O.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
The InChIKey is YBPAZCAASLYDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-12-7-2-1-4-9(12)8-10-5-3-6-11(13(10)16)14(17)18/h1-7,16H,8H2,(H,17,18).
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid has a molecular weight of 262.69 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 23456936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).