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

C22H15Cl2NO — CID 3882737

IUPAC2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#CC(=Cc1ccccc1OCc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C22H15Cl2NO/c23-20-10-4-1-8-17(20)15-26-22-12-6-2-7-16(22)13-18(14-25)19-9-3-5-11-21(19)24/h1-13H,15H2
InChIKeyXSTJBNYCRGGOHP-UHFFFAOYSA-N
MW380.27 g/mol
LogP6.64
Rot. Bonds5

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

2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile (PubChem CID 3882737) has the molecular formula C22H15Cl2NO and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
PubChem CID3882737
Molecular FormulaC22H15Cl2NO
Molecular Weight380.27 g/mol
Exact Mass379.05
IUPAC Name2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#CC(=Cc1ccccc1OCc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C22H15Cl2NO/c23-20-10-4-1-8-17(20)15-26-22-12-6-2-7-16(22)13-18(14-25)19-9-3-5-11-21(19)24/h1-13H,15H2
InChIKeyXSTJBNYCRGGOHP-UHFFFAOYSA-N
XLogP6.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126366484
2-(2-chlorophenyl)-3-[2-[(4-iodophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4640498
(E)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 124553735
2-(2-chlorophenyl)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3434327
methyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate
CID 4778396
2-(2-chlorophenyl)-3-[2-[(3-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3521578
(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 126370031
3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4661928
2-[[2-[2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzonitrile
CID 2953041
(E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396717
4-[1-cyano-2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]benzoic acid
CID 3555032
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile (CID 3882737) is 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The InChIKey is XSTJBNYCRGGOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO/c23-20-10-4-1-8-17(20)15-26-22-12-6-2-7-16(22)13-18(14-25)19-9-3-5-11-21(19)24/h1-13H,15H2.
What are the key properties of 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile has a molecular weight of 380.27 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 3882737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).