1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene

C21H17Cl — CID 102471698

IUPAC1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
SMILESClc1ccc([C@H](/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl/c22-20-14-12-19(13-15-20)21(18-9-5-2-6-10-18)16-11-17-7-3-1-4-8-17/h1-16,21H/b16-11+/t21-/m1/s1
InChIKeyYCDPQRKWQNSVGY-RBNQXFGJSA-N
MW304.82 g/mol
LogP6.19
Rot. Bonds4

About 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene

1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene (PubChem CID 102471698) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
PubChem CID102471698
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
SMILESClc1ccc([C@H](/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl/c22-20-14-12-19(13-15-20)21(18-9-5-2-6-10-18)16-11-17-7-3-1-4-8-17/h1-16,21H/b16-11+/t21-/m1/s1
InChIKeyYCDPQRKWQNSVGY-RBNQXFGJSA-N
XLogP6.19
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 ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
CID 174797210
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-amine
CID 11011042
dimethyl 2-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enyl]propanedioate
CID 102041385
1-benzhydryl-4-chlorobenzene
CID 13050205
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one
CID 54714181
1-benzhydryl-4-(2-phenylethenyl)benzene
CID 90954362
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene (CID 102471698) is 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene is Clc1ccc([C@H](/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene?
The InChIKey is YCDPQRKWQNSVGY-RBNQXFGJSA-N. The full InChI is InChI=1S/C21H17Cl/c22-20-14-12-19(13-15-20)21(18-9-5-2-6-10-18)16-11-17-7-3-1-4-8-17/h1-16,21H/b16-11+/t21-/m1/s1.
What are the key properties of 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene?
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene has a molecular weight of 304.82 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene is sourced from PubChem (CID 102471698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).