2-(3-chlorophenyl)cyclopropane-1-carboxylic acid

C10H9ClO2 — CID 23423018

IUPAC2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C10H9ClO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)
InChIKeyYGWYJGWUNQIPPV-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid

2-(3-chlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 23423018) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID23423018
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C10H9ClO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)
InChIKeyYGWYJGWUNQIPPV-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid (CID 23423018) is 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is YGWYJGWUNQIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13).
What are the key properties of 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 196.63 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 23423018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).