(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid

C10H9ClO2 — CID 70153903

IUPAC(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8?,9-/m1/s1
InChIKeyJZYXJKBNUJJIKU-YGPZHTELSA-N
MW196.63 g/mol
LogP2.53
Rot. Bonds2

About (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid

(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 70153903) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID70153903
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8?,9-/m1/s1
InChIKeyJZYXJKBNUJJIKU-YGPZHTELSA-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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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020573
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
2-(4-phosphanylphenyl)cyclopropane-1-carboxylic acid
CID 126735709
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene
CID 88785384

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid (CID 70153903) is (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1CC1c1ccc(Cl)cc1.
What is the InChIKey of (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is JZYXJKBNUJJIKU-YGPZHTELSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid?
(1R)-2-(4-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 (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70153903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).