2-[2-(2-chlorophenyl)ethyl]benzoic acid

C15H13ClO2 — CID 70516593

IUPAC2-[2-(2-chlorophenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1ccccc1Cl
InChIInChI=1S/C15H13ClO2/c16-14-8-4-2-6-12(14)10-9-11-5-1-3-7-13(11)15(17)18/h1-8H,9-10H2,(H,17,18)
InChIKeyZAMWVZFNIZNZHM-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(2-chlorophenyl)ethyl]benzoic acid

2-[2-(2-chlorophenyl)ethyl]benzoic acid (PubChem CID 70516593) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]benzoic acid
PubChem CID70516593
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-[2-(2-chlorophenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1ccccc1Cl
InChIInChI=1S/C15H13ClO2/c16-14-8-4-2-6-12(14)10-9-11-5-1-3-7-13(11)15(17)18/h1-8H,9-10H2,(H,17,18)
InChIKeyZAMWVZFNIZNZHM-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoropropyl)benzoic acid
CID 83856062
2-(3-amino-3-oxopropyl)benzoic acid
CID 19261660
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
2-[4-[[1-carboxy-3-(2-chlorophenyl)propan-2-yl]amino]-4-oxobutyl]benzoic acid
CID 78001960
azane;2-butylbenzoic acid
CID 174819524
2-(2-methylsulfanylethyl)benzoic acid
CID 115020749
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]benzoic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]benzoic acid (CID 70516593) is 2-[2-(2-chlorophenyl)ethyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]benzoic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]benzoic acid is O=C(O)c1ccccc1CCc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]benzoic acid?
The InChIKey is ZAMWVZFNIZNZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14-8-4-2-6-12(14)10-9-11-5-1-3-7-13(11)15(17)18/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]benzoic acid?
2-[2-(2-chlorophenyl)ethyl]benzoic acid has a molecular weight of 260.72 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]benzoic acid is sourced from PubChem (CID 70516593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).