trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid

C10H9ClO2 — CID 11206387

IUPACtrans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cccc(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)/t8-,9+/m0/s1
InChIKeyYGWYJGWUNQIPPV-DTWKUNHWSA-N
MW196.63 g/mol
LogP2.53
Rot. Bonds2

About trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 11206387) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID11206387
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Nametrans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cccc(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)/t8-,9+/m0/s1
InChIKeyYGWYJGWUNQIPPV-DTWKUNHWSA-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

(4-Chlorophenyl)acetic acid
CID 15880
Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
CID 16197
Bis(4-chlorophenyl)acetic acid
CID 6730
1-(p-Chlorophenyl)cyclobutanecarboxylic acid
CID 602761
trans-2-Phenylcyclopropanecarboxylic acid
CID 237413
3-Chlorophenylacetic acid
CID 15879
3-(3-Chlorophenyl)propanoic acid
CID 177164
o-Chlorophenylacetic acid
CID 17124
beta-(p-Chlorophenyl)propionic acid
CID 123137
4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
1-(4-Chlorophenyl)cyclopentanecarboxylic acid
CID 97447
1-(3-Chlorophenyl)cyclobutanecarboxylic acid
CID 644449

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid (CID 11206387) is trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is YGWYJGWUNQIPPV-DTWKUNHWSA-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)/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-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 trans-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 11206387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).