3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

C16H12ClNO — CID 4661928

IUPAC3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#CC=Cc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C16H12ClNO/c17-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-18/h1-10H,12H2
InChIKeyAWGHXJYFJCANQI-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.46
Rot. Bonds4

About 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile (PubChem CID 4661928) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
PubChem CID4661928
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#CC=Cc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C16H12ClNO/c17-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-18/h1-10H,12H2
InChIKeyAWGHXJYFJCANQI-UHFFFAOYSA-N
XLogP4.46
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6295779
3-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
CID 3990378
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3882737
(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 6185484
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
CID 11205957
(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126366484
(E)-3-(2-chlorophenyl)prop-2-enenitrile;hydron
CID 174388548
methyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate
CID 4778396
(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6278260
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The IUPAC name of 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile (CID 4661928) is 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is N#CC=Cc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The InChIKey is AWGHXJYFJCANQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-18/h1-10H,12H2.
What are the key properties of 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile has a molecular weight of 269.73 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 4661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).