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

C16H11Cl3 — CID 10686344

IUPAC2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene
SMILESCl/C(=C\C=C\c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H11Cl3/c17-14-10-9-13(16(19)11-14)7-4-8-15(18)12-5-2-1-3-6-12/h1-11H/b7-4+,15-8-
InChIKeyPTFCRBYKGWBBGL-GVEAZFNLSA-N
MW309.62 g/mol
LogP6.29
Rot. Bonds3

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

2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 10686344) has the molecular formula C16H11Cl3 and a molecular weight of 309.62 g/mol. Its IUPAC name is 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene
PubChem CID10686344
Molecular FormulaC16H11Cl3
Molecular Weight309.62 g/mol
Exact Mass307.99
IUPAC Name2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene
SMILESCl/C(=C\C=C\c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H11Cl3/c17-14-10-9-13(16(19)11-14)7-4-8-15(18)12-5-2-1-3-6-12/h1-11H/b7-4+,15-8-
InChIKeyPTFCRBYKGWBBGL-GVEAZFNLSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.62
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
3-(2,4-dichlorophenyl)prop-2-enal
CID 4193011
2,4-dichloro-1-(2-chloroethenyl)benzene
CID 609851
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
CID 2343564
2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene
CID 162401523
2,4-dichloro-1-[2-[2-(2,4-dichlorophenyl)ethenoxy]ethenyl]benzene
CID 139944429
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
2,4-dichloro-1-[(Z)-2-(2-methoxyphenoxy)ethenyl]benzene
CID 54610251
(1-oxo-1-phenylpropan-2-yl) 3-(2,4-dichlorophenyl)prop-2-enoate
CID 3431323
2,4-dichloro-1-ethenylbenzene;styrene
CID 67764431

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene (CID 10686344) is 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene is Cl/C(=C\C=C\c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is PTFCRBYKGWBBGL-GVEAZFNLSA-N. The full InChI is InChI=1S/C16H11Cl3/c17-14-10-9-13(16(19)11-14)7-4-8-15(18)12-5-2-1-3-6-12/h1-11H/b7-4+,15-8-.
What are the key properties of 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene?
2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 309.62 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 10686344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).