1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene

C16H14Cl2 — CID 88704191

IUPAC1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C(/CCl)c2ccccc2)cc1
InChIInChI=1S/C16H14Cl2/c1-12-7-9-14(10-8-12)16(18)15(11-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3/b16-15+
InChIKeyRABJYVHXOHXCSK-FOCLMDBBSA-N
MW277.19 g/mol
LogP5.34
Rot. Bonds3

About 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene

1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene (PubChem CID 88704191) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene
PubChem CID88704191
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C(/CCl)c2ccccc2)cc1
InChIInChI=1S/C16H14Cl2/c1-12-7-9-14(10-8-12)16(18)15(11-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3/b16-15+
InChIKeyRABJYVHXOHXCSK-FOCLMDBBSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.19
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311
benzoic acid;4-methylbenzoic acid
CID 71272637
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene
CID 88702809
4,4-difluoro-1-(4-methylphenyl)-3-phenylbut-3-en-1-one
CID 132577802
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene?
The IUPAC name of 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene (CID 88704191) is 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene?
The canonical SMILES for 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene is Cc1ccc(/C(Cl)=C(/CCl)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene?
The InChIKey is RABJYVHXOHXCSK-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H14Cl2/c1-12-7-9-14(10-8-12)16(18)15(11-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3/b16-15+.
What are the key properties of 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene?
1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene has a molecular weight of 277.19 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene is sourced from PubChem (CID 88704191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).