[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene

C17H15Cl — CID 11680420

IUPAC[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
SMILESCC(/C=C/c1ccccc1)=C(/Cl)c1ccccc1
InChIInChI=1S/C17H15Cl/c1-14(12-13-15-8-4-2-5-9-15)17(18)16-10-6-3-7-11-16/h2-13H,1H3/b13-12+,17-14-
InChIKeyMFVMGAFTCJJBKG-SQCSQLHISA-N
MW254.76 g/mol
LogP5.37
Rot. Bonds3

About [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene

[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 11680420) has the molecular formula C17H15Cl and a molecular weight of 254.76 g/mol. Its IUPAC name is [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
PubChem CID11680420
Molecular FormulaC17H15Cl
Molecular Weight254.76 g/mol
Exact Mass254.09
IUPAC Name[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
SMILESCC(/C=C/c1ccccc1)=C(/Cl)c1ccccc1
InChIInChI=1S/C17H15Cl/c1-14(12-13-15-8-4-2-5-9-15)17(18)16-10-6-3-7-11-16/h2-13H,1H3/b13-12+,17-14-
InChIKeyMFVMGAFTCJJBKG-SQCSQLHISA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.76
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
CID 102383415
2-(4-phenylbut-3-en-2-ylidene)propanedioic acid
CID 85132493
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene
CID 162275841
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol
CID 19013042

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene (CID 11680420) is [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene is CC(/C=C/c1ccccc1)=C(/Cl)c1ccccc1.
What is the InChIKey of [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is MFVMGAFTCJJBKG-SQCSQLHISA-N. The full InChI is InChI=1S/C17H15Cl/c1-14(12-13-15-8-4-2-5-9-15)17(18)16-10-6-3-7-11-16/h2-13H,1H3/b13-12+,17-14-.
What are the key properties of [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 254.76 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 11680420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).