2-methyl-3-phenylcyclopropane-1-carboxylic acid

C11H12O2 — CID 83481885

IUPAC2-methyl-3-phenylcyclopropane-1-carboxylic acid
SMILESCC1C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C11H12O2/c1-7-9(10(7)11(12)13)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,12,13)
InChIKeyMRSGPOUTCALJOZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.12
Rot. Bonds2

About 2-methyl-3-phenylcyclopropane-1-carboxylic acid

2-methyl-3-phenylcyclopropane-1-carboxylic acid (PubChem CID 83481885) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-3-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-phenylcyclopropane-1-carboxylic acid
PubChem CID83481885
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-methyl-3-phenylcyclopropane-1-carboxylic acid
SMILESCC1C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C11H12O2/c1-7-9(10(7)11(12)13)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,12,13)
InChIKeyMRSGPOUTCALJOZ-UHFFFAOYSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
(1R,2S,3R,4S)-3-(4-ethynylphenoxy)carbonyl-2-methyl-4-phenylcyclobutane-1-carboxylic acid
CID 130428367
(1R,2R,3R,4R)-2-methyl-4-phenyl-3-[(1S,2R)-2-phenylcyclohexyl]oxycarbonylcyclobutane-1-carboxylic acid
CID 130428279
3-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 117275036
(1R,2R,3R)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10681240
(1R,2R,3S,4S)-3-phenyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 160553731
(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70130242
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 123842840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-3-phenylcyclopropane-1-carboxylic acid (CID 83481885) is 2-methyl-3-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-3-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-3-phenylcyclopropane-1-carboxylic acid is CC1C(C(=O)O)C1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylcyclopropane-1-carboxylic acid?
The InChIKey is MRSGPOUTCALJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-9(10(7)11(12)13)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,12,13).
What are the key properties of 2-methyl-3-phenylcyclopropane-1-carboxylic acid?
2-methyl-3-phenylcyclopropane-1-carboxylic acid has a molecular weight of 176.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83481885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).