1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene

C19H21Cl — CID 89399672

IUPAC1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene
SMILESCC/C(C)=C(/C=C\C1=CCCC=C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl/c1-3-15(2)19(17-10-12-18(20)13-11-17)14-9-16-7-5-4-6-8-16/h5,7-14H,3-4,6H2,1-2H3/b14-9-,19-15-
InChIKeyZLQLXPGRWYMUPN-BUXXSPIWSA-N
MW284.83 g/mol
LogP6.36
Rot. Bonds4

About 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene

1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene (PubChem CID 89399672) has the molecular formula C19H21Cl and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene
PubChem CID89399672
Molecular FormulaC19H21Cl
Molecular Weight284.83 g/mol
Exact Mass284.13
IUPAC Name1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene
SMILESCC/C(C)=C(/C=C\C1=CCCC=C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl/c1-3-15(2)19(17-10-12-18(20)13-11-17)14-9-16-7-5-4-6-8-16/h5,7-14H,3-4,6H2,1-2H3/b14-9-,19-15-
InChIKeyZLQLXPGRWYMUPN-BUXXSPIWSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.83
LogP ≤ 56.36
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

CID 3036
CID 3036
CID 3035
CID 3035
CID 7810
CID 7810
CID 7238
CID 7238
CID 246598
CID 246598
CID 14906
CID 14906
CID 249266
CID 249266
CID 7931
CID 7931
CID 16322
CID 16322
CID 16323
CID 16323
CID 36982
CID 36982
CID 7723
CID 7723

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene?
The IUPAC name of 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene (CID 89399672) is 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene?
The canonical SMILES for 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene is CC/C(C)=C(/C=C\C1=CCCC=C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene?
The InChIKey is ZLQLXPGRWYMUPN-BUXXSPIWSA-N. The full InChI is InChI=1S/C19H21Cl/c1-3-15(2)19(17-10-12-18(20)13-11-17)14-9-16-7-5-4-6-8-16/h5,7-14H,3-4,6H2,1-2H3/b14-9-,19-15-.
What are the key properties of 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene?
1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene has a molecular weight of 284.83 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene is sourced from PubChem (CID 89399672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).