1-chloro-4-(1,2-diphenylethenyl)benzene

C20H15Cl — CID 58695106

IUPAC1-chloro-4-(1,2-diphenylethenyl)benzene
SMILESClc1ccc(C(=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H15Cl/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15H
InChIKeyPPRWZQWEXASZAT-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.93
Rot. Bonds3

About 1-chloro-4-(1,2-diphenylethenyl)benzene

1-chloro-4-(1,2-diphenylethenyl)benzene (PubChem CID 58695106) has the molecular formula C20H15Cl and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-chloro-4-(1,2-diphenylethenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,2-diphenylethenyl)benzene
PubChem CID58695106
Molecular FormulaC20H15Cl
Molecular Weight290.79 g/mol
Exact Mass290.09
IUPAC Name1-chloro-4-(1,2-diphenylethenyl)benzene
SMILESClc1ccc(C(=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H15Cl/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15H
InChIKeyPPRWZQWEXASZAT-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 173126547
CID 173126547
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-diphenylphosphane
CID 139204693
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
CID 172843956
CID 172843956
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1,2-diphenylethenylbenzene;furan
CID 175372951
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,2-diphenylethenyl)benzene?
The IUPAC name of 1-chloro-4-(1,2-diphenylethenyl)benzene (CID 58695106) is 1-chloro-4-(1,2-diphenylethenyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,2-diphenylethenyl)benzene?
The canonical SMILES for 1-chloro-4-(1,2-diphenylethenyl)benzene is Clc1ccc(C(=Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-(1,2-diphenylethenyl)benzene?
The InChIKey is PPRWZQWEXASZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15H.
What are the key properties of 1-chloro-4-(1,2-diphenylethenyl)benzene?
1-chloro-4-(1,2-diphenylethenyl)benzene has a molecular weight of 290.79 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,2-diphenylethenyl)benzene is sourced from PubChem (CID 58695106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).