cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid

C17H15ClO2 — CID 127031563

IUPACcis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-14-8-6-12(7-9-14)10-17(16(19)20)11-15(17)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)/t15-,17+/m0/s1
InChIKeyYYNYJPGIQKBATL-DOTOQJQBSA-N
MW286.76 g/mol
LogP4.14
Rot. Bonds4

About cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid

cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 127031563) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID127031563
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Namecis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-14-8-6-12(7-9-14)10-17(16(19)20)11-15(17)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)/t15-,17+/m0/s1
InChIKeyYYNYJPGIQKBATL-DOTOQJQBSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid (CID 127031563) is cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is YYNYJPGIQKBATL-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-14-8-6-12(7-9-14)10-17(16(19)20)11-15(17)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)/t15-,17+/m0/s1.
What are the key properties of cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid?
cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 286.76 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 127031563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).