cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid

C10H10O2 — CID 778516

IUPACcis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9-/m1/s1
InChIKeyAHDDRJBFJBDEPW-RKDXNWHRSA-N
MW162.19 g/mol
LogP1.87
Rot. Bonds2

About cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid

cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 778516) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
PubChem CID778516
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namecis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9-/m1/s1
InChIKeyAHDDRJBFJBDEPW-RKDXNWHRSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
2-(4-phosphanylphenyl)cyclopropane-1-carboxylic acid
CID 126735709
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
CID 45081115
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid (CID 778516) is cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is AHDDRJBFJBDEPW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 162.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 778516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).