1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile

C17H15NO — CID 116841997

IUPAC1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile
SMILESCC1(C#N)CC1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15NO/c1-17(12-18)11-16(17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyXMCIBYKRQXZZGM-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.50
Rot. Bonds3

About 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile

1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 116841997) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile
PubChem CID116841997
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile
SMILESCC1(C#N)CC1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15NO/c1-17(12-18)11-16(17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyXMCIBYKRQXZZGM-UHFFFAOYSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
CID 116842082
1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile
CID 116842076
2-(4-butan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841976
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile
CID 116841957
(1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile
CID 135037492
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylcyclopropane-1-carbonitrile
CID 116841966
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
(1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane
CID 11448484
1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920829
(1R,4S,5S,6R)-6-[4-(3-fluorophenoxy)phenyl]-4-phenyl-3-oxabicyclo[3.1.0]hexane-1-carbonitrile
CID 132502264
2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile
CID 156779666

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile (CID 116841997) is 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile is CC1(C#N)CC1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is XMCIBYKRQXZZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-17(12-18)11-16(17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3.
What are the key properties of 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile?
1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116841997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).