1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile

C18H17NO — CID 169409151

IUPAC1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile
SMILESCCOc1cccc(-c2cccc(C3(C#N)CC3)c2)c1
InChIInChI=1S/C18H17NO/c1-2-20-17-8-4-6-15(12-17)14-5-3-7-16(11-14)18(13-19)9-10-18/h3-8,11-12H,2,9-10H2,1H3
InChIKeyPPPGEIRYERAMSM-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.31
Rot. Bonds4

About 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile

1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 169409151) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile
PubChem CID169409151
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile
SMILESCCOc1cccc(-c2cccc(C3(C#N)CC3)c2)c1
InChIInChI=1S/C18H17NO/c1-2-20-17-8-4-6-15(12-17)14-5-3-7-16(11-14)18(13-19)9-10-18/h3-8,11-12H,2,9-10H2,1H3
InChIKeyPPPGEIRYERAMSM-UHFFFAOYSA-N
XLogP4.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 116989214
4-(4-ethoxyphenyl)piperidine-4-carbonitrile
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CID 79420806
1-ethoxy-3-(1-isocyanatocyclopropyl)benzene
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5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141178336
1-(4-chloro-3-ethoxyphenyl)cyclobutane-1-carbonitrile
CID 84797826
5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 20983356
4-(3-ethylphenyl)piperidine-4-carbonitrile
CID 23587408
1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile
CID 58012530
4-(3-ethoxyphenyl)-N,N-diethylaniline
CID 11231008
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727
1-[4-(3-methoxyphenyl)pyrimidin-2-yl]cyclopropane-1-carbonitrile
CID 116902410

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile (CID 169409151) is 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile is CCOc1cccc(-c2cccc(C3(C#N)CC3)c2)c1.
What is the InChIKey of 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is PPPGEIRYERAMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-20-17-8-4-6-15(12-17)14-5-3-7-16(11-14)18(13-19)9-10-18/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile?
1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 169409151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).