1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid

C16H13ClO2 — CID 83557768

IUPAC1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C16H13ClO2/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)16(8-9-16)15(18)19/h1-7,10H,8-9H2,(H,18,19)
InChIKeyWSNZRPZCNUAPLC-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.12
Rot. Bonds3

About 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid

1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 83557768) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID83557768
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C16H13ClO2/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)16(8-9-16)15(18)19/h1-7,10H,8-9H2,(H,18,19)
InChIKeyWSNZRPZCNUAPLC-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid (CID 83557768) is 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cccc(-c3ccccc3Cl)c2)CC1.
What is the InChIKey of 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is WSNZRPZCNUAPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)16(8-9-16)15(18)19/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid?
1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 272.73 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83557768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).