ethane;2-phenylcyclopropane-1-carboxylic acid

C12H16O2 — CID 91570346

IUPACethane;2-phenylcyclopropane-1-carboxylic acid
SMILESCC.O=C(O)C1CC1c1ccccc1
InChIInChI=1S/C10H10O2.C2H6/c11-10(12)9-6-8(9)7-4-2-1-3-5-7;1-2/h1-5,8-9H,6H2,(H,11,12);1-2H3
InChIKeyNRUYEECDZIWSKW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.90
Rot. Bonds2

About ethane;2-phenylcyclopropane-1-carboxylic acid

ethane;2-phenylcyclopropane-1-carboxylic acid (PubChem CID 91570346) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;2-phenylcyclopropane-1-carboxylic acid
PubChem CID91570346
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethane;2-phenylcyclopropane-1-carboxylic acid
SMILESCC.O=C(O)C1CC1c1ccccc1
InChIInChI=1S/C10H10O2.C2H6/c11-10(12)9-6-8(9)7-4-2-1-3-5-7;1-2/h1-5,8-9H,6H2,(H,11,12);1-2H3
InChIKeyNRUYEECDZIWSKW-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of ethane;2-phenylcyclopropane-1-carboxylic acid (CID 91570346) is ethane;2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for ethane;2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for ethane;2-phenylcyclopropane-1-carboxylic acid is CC.O=C(O)C1CC1c1ccccc1.
What is the InChIKey of ethane;2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is NRUYEECDZIWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H6/c11-10(12)9-6-8(9)7-4-2-1-3-5-7;1-2/h1-5,8-9H,6H2,(H,11,12);1-2H3.
What are the key properties of ethane;2-phenylcyclopropane-1-carboxylic acid?
ethane;2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 192.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 91570346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).