1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene

C17H16Cl2 — CID 74928285

IUPAC1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
SMILESCc1ccc(C(C)C=C(Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16Cl2/c1-12-3-5-14(6-4-12)13(2)11-17(19)15-7-9-16(18)10-8-15/h3-11,13H,1-2H3
InChIKeyDWDBLECXSXYBBK-UHFFFAOYSA-N
MW291.22 g/mol
LogP6.03
Rot. Bonds3

About 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene

1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene (PubChem CID 74928285) has the molecular formula C17H16Cl2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
PubChem CID74928285
Molecular FormulaC17H16Cl2
Molecular Weight291.22 g/mol
Exact Mass290.06
IUPAC Name1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
SMILESCc1ccc(C(C)C=C(Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16Cl2/c1-12-3-5-14(6-4-12)13(2)11-17(19)15-7-9-16(18)10-8-15/h3-11,13H,1-2H3
InChIKeyDWDBLECXSXYBBK-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.22
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
CID 54597344
1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene
CID 15526799
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
CID 141461209
2-[2-(4-chlorophenyl)propylidene]propanedinitrile
CID 11413295
S-[(4-chlorophenyl)-hydroxymethyl] 4-methylbenzenecarbothioate
CID 143323138
1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene
CID 88784401
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
(E)-2-methyl-4-(4-methylphenyl)pent-2-en-1-ol
CID 90431836
[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
CID 87101615
1-chloro-4-methylbenzene;zinc
CID 174694335
1,3-bis(4-chlorophenyl)-5-(4-methylphenyl)pentane-1,5-dione
CID 66572947

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene (CID 74928285) is 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene is Cc1ccc(C(C)C=C(Cl)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene?
The InChIKey is DWDBLECXSXYBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2/c1-12-3-5-14(6-4-12)13(2)11-17(19)15-7-9-16(18)10-8-15/h3-11,13H,1-2H3.
What are the key properties of 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene?
1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene has a molecular weight of 291.22 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene is sourced from PubChem (CID 74928285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).