1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene

C23H21Cl — CID 139051346

IUPAC1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
SMILESCC/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1C
InChIInChI=1S/C23H21Cl/c1-3-21(22-12-8-7-9-17(22)2)23(18-10-5-4-6-11-18)19-13-15-20(24)16-14-19/h4-16H,3H2,1-2H3/b23-21-
InChIKeyBYBJGYOFVRAREW-LNVKXUELSA-N
MW332.87 g/mol
LogP7.02
Rot. Bonds4

About 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene

1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene (PubChem CID 139051346) has the molecular formula C23H21Cl and a molecular weight of 332.87 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
PubChem CID139051346
Molecular FormulaC23H21Cl
Molecular Weight332.87 g/mol
Exact Mass332.13
IUPAC Name1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
SMILESCC/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1C
InChIInChI=1S/C23H21Cl/c1-3-21(22-12-8-7-9-17(22)2)23(18-10-5-4-6-11-18)19-13-15-20(24)16-14-19/h4-16H,3H2,1-2H3/b23-21-
InChIKeyBYBJGYOFVRAREW-LNVKXUELSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.87
LogP ≤ 57.02
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

1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol
CID 167478355
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene
CID 101481272
1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
CID 6509575
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene (CID 139051346) is 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene is CC/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1C.
What is the InChIKey of 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
The InChIKey is BYBJGYOFVRAREW-LNVKXUELSA-N. The full InChI is InChI=1S/C23H21Cl/c1-3-21(22-12-8-7-9-17(22)2)23(18-10-5-4-6-11-18)19-13-15-20(24)16-14-19/h4-16H,3H2,1-2H3/b23-21-.
What are the key properties of 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene has a molecular weight of 332.87 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene is sourced from PubChem (CID 139051346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).