3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile

C18H17NO — CID 118528870

IUPAC3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile
SMILESN#CC1CC(OCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO/c19-12-15-10-18(11-15)20-13-14-6-8-17(9-7-14)16-4-2-1-3-5-16/h1-9,15,18H,10-11,13H2
InChIKeyNBEZNKOGCALPJW-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.17
Rot. Bonds4

About 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile

3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile (PubChem CID 118528870) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile
PubChem CID118528870
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile
SMILESN#CC1CC(OCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO/c19-12-15-10-18(11-15)20-13-14-6-8-17(9-7-14)16-4-2-1-3-5-16/h1-9,15,18H,10-11,13H2
InChIKeyNBEZNKOGCALPJW-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(4-phenylphenyl)methoxy]cyclobutane-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

(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
3-[(3-phenylphenyl)methoxy]azetidine-1-carbonitrile
CID 118524774
3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid
CID 58557319
2-(3-phenylmethoxycyclobutylidene)acetonitrile
CID 66824115
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
3-phenylmethoxycyclopentan-1-amine
CID 79421215
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(4-ethynylcyclohexyl)oxymethylbenzene
CID 168926601
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile?
The IUPAC name of 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile (CID 118528870) is 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile is N#CC1CC(OCc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile?
The InChIKey is NBEZNKOGCALPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c19-12-15-10-18(11-15)20-13-14-6-8-17(9-7-14)16-4-2-1-3-5-16/h1-9,15,18H,10-11,13H2.
What are the key properties of 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile?
3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methoxy]cyclobutane-1-carbonitrile is sourced from PubChem (CID 118528870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).