(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

C22H15Cl2NO — CID 126366484

IUPAC(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2NO/c23-20-11-9-16(10-12-20)19(14-25)13-17-5-2-4-8-22(17)26-15-18-6-1-3-7-21(18)24/h1-13H,15H2/b19-13-
InChIKeyDEERTGOSKBEUCM-UYRXBGFRSA-N
MW380.27 g/mol
LogP6.64
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile (PubChem CID 126366484) has the molecular formula C22H15Cl2NO and a molecular weight of 380.27 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
PubChem CID126366484
Molecular FormulaC22H15Cl2NO
Molecular Weight380.27 g/mol
Exact Mass379.05
IUPAC Name(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2NO/c23-20-11-9-16(10-12-20)19(14-25)13-17-5-2-4-8-22(17)26-15-18-6-1-3-7-21(18)24/h1-13H,15H2/b19-13-
InChIKeyDEERTGOSKBEUCM-UYRXBGFRSA-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

2-[[2-[2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzonitrile
CID 2953041
2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3882737
2-(4-chlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2952464
4-[1-cyano-2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]benzoic acid
CID 3555032
(Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 124652519
(E)-2-(4-chlorophenyl)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126365201
(E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396717
(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 126370031
methyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate
CID 4778396
4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 934756
(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 124652517
3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4661928

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The IUPAC name of (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile (CID 126366484) is (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The canonical SMILES for (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
The InChIKey is DEERTGOSKBEUCM-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H15Cl2NO/c23-20-11-9-16(10-12-20)19(14-25)13-17-5-2-4-8-22(17)26-15-18-6-1-3-7-21(18)24/h1-13H,15H2/b19-13-.
What are the key properties of (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile?
(E)-2-(4-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 (E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 126366484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).