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

C21H17Cl — CID 174797210

IUPAC1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
SMILESClc1ccccc1C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17Cl/c22-21-14-8-7-13-20(21)19(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-16,19H/b16-15+
InChIKeyMENMCCOAUBZUDQ-FOCLMDBBSA-N
MW304.82 g/mol
LogP6.19
Rot. Bonds4

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

1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene (PubChem CID 174797210) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
PubChem CID174797210
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
SMILESClc1ccccc1C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17Cl/c22-21-14-8-7-13-20(21)19(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-16,19H/b16-15+
InChIKeyMENMCCOAUBZUDQ-FOCLMDBBSA-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-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
1-chloro-2-[(Z)-1-[(Z)-1-(2-chlorophenyl)-3-phenylprop-2-enyl]sulfanyl-3-phenylprop-2-enyl]benzene
CID 139947365
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene
CID 46185842
1-benzhydryl-2-chlorobenzene;methane
CID 159179204
4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 177440064
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
CID 102428892
1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene
CID 86588946
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid
CID 21325895

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene (CID 174797210) is 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene is Clc1ccccc1C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene?
The InChIKey is MENMCCOAUBZUDQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H17Cl/c22-21-14-8-7-13-20(21)19(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-16,19H/b16-15+.
What are the key properties of 1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene?
1-chloro-2-[(E)-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-2-[(E)-1,3-diphenylprop-2-enyl]benzene is sourced from PubChem (CID 174797210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).