1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile

C17H13NO2 — CID 116920829

IUPAC1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C17H13NO2/c18-12-17(10-11-17)16(19)13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyPZKGSMLHWCAGHP-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.97
Rot. Bonds4

About 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile

1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile (PubChem CID 116920829) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile
PubChem CID116920829
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C17H13NO2/c18-12-17(10-11-17)16(19)13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyPZKGSMLHWCAGHP-UHFFFAOYSA-N
XLogP3.97
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475
4-phenoxybenzoyl cyanide
CID 20510497
4-phenoxybenzoic acid;hydrochloride
CID 70385625
1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile
CID 116920814
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
4-phenoxybenzoyl bromide
CID 116924551
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
1-(1,3-benzodioxole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920811
1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920794
4-(4-chlorobenzoyl)oxane-4-carbonitrile
CID 97035179
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile (CID 116920829) is 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile?
The InChIKey is PZKGSMLHWCAGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c18-12-17(10-11-17)16(19)13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h1-9H,10-11H2.
What are the key properties of 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile?
1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116920829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).