1-chloro-4-(3,3-diphenylprop-2-enyl)benzene

C21H17Cl — CID 174797148

IUPAC1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
SMILESClc1ccc(CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl/c22-20-14-11-17(12-15-20)13-16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14-16H,13H2
InChIKeyVLIOWEYGYDFULD-UHFFFAOYSA-N
MW304.82 g/mol
LogP6.01
Rot. Bonds4

About 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene

1-chloro-4-(3,3-diphenylprop-2-enyl)benzene (PubChem CID 174797148) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
PubChem CID174797148
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
SMILESClc1ccc(CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl/c22-20-14-11-17(12-15-20)13-16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14-16H,13H2
InChIKeyVLIOWEYGYDFULD-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene?
The IUPAC name of 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene (CID 174797148) is 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene?
The canonical SMILES for 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene is Clc1ccc(CC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene?
The InChIKey is VLIOWEYGYDFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl/c22-20-14-11-17(12-15-20)13-16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14-16H,13H2.
What are the key properties of 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene?
1-chloro-4-(3,3-diphenylprop-2-enyl)benzene has a molecular weight of 304.82 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3,3-diphenylprop-2-enyl)benzene is sourced from PubChem (CID 174797148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).