1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile

C17H15NO — CID 169408841

IUPAC1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
SMILESCOc1cccc(-c2ccc(C3(C#N)CC3)cc2)c1
InChIInChI=1S/C17H15NO/c1-19-16-4-2-3-14(11-16)13-5-7-15(8-6-13)17(12-18)9-10-17/h2-8,11H,9-10H2,1H3
InChIKeyJHPSGZVULVKFIQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.92
Rot. Bonds3

About 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile

1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 169408841) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
PubChem CID169408841
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
SMILESCOc1cccc(-c2ccc(C3(C#N)CC3)cc2)c1
InChIInChI=1S/C17H15NO/c1-19-16-4-2-3-14(11-16)13-5-7-15(8-6-13)17(12-18)9-10-17/h2-8,11H,9-10H2,1H3
InChIKeyJHPSGZVULVKFIQ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile (CID 169408841) is 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile is COc1cccc(-c2ccc(C3(C#N)CC3)cc2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is JHPSGZVULVKFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-19-16-4-2-3-14(11-16)13-5-7-15(8-6-13)17(12-18)9-10-17/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 169408841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).