1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene

C12H13Cl — CID 84820223

IUPAC1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene
SMILESCC(C)=C/C=C\c1ccccc1Cl
InChIInChI=1S/C12H13Cl/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-9H,1-2H3/b8-5-
InChIKeyKTQPWVUIMOFGJL-YVMONPNESA-N
MW192.69 g/mol
LogP4.32
Rot. Bonds2

About 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene

1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene (PubChem CID 84820223) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene
PubChem CID84820223
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene
SMILESCC(C)=C/C=C\c1ccccc1Cl
InChIInChI=1S/C12H13Cl/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-9H,1-2H3/b8-5-
InChIKeyKTQPWVUIMOFGJL-YVMONPNESA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 54.32
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

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1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
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4-methylpenta-1,3-dienylbenzene
CID 3614395
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CID 102035541
CID 102035541
N'-[2-(2-chlorophenyl)ethenyl]ethanimidamide;hydrate;hydrochloride
CID 74054387
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
5-[(E)-3-(2-chlorophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
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CID 54775827

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene?
The IUPAC name of 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene (CID 84820223) is 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene.
What is the SMILES notation for 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene?
The canonical SMILES for 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene is CC(C)=C/C=C\c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene?
The InChIKey is KTQPWVUIMOFGJL-YVMONPNESA-N. The full InChI is InChI=1S/C12H13Cl/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-9H,1-2H3/b8-5-.
What are the key properties of 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene?
1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene has a molecular weight of 192.69 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene is sourced from PubChem (CID 84820223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).