(5-chloro-4-methylpenta-1,3-dienyl)benzene

C12H13Cl — CID 79323612

IUPAC(5-chloro-4-methylpenta-1,3-dienyl)benzene
SMILESCC(=CC=Cc1ccccc1)CCl
InChIInChI=1S/C12H13Cl/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyQTCLAPPJDAHYEK-UHFFFAOYSA-N
MW192.69 g/mol
LogP3.88
Rot. Bonds3

About (5-chloro-4-methylpenta-1,3-dienyl)benzene

(5-chloro-4-methylpenta-1,3-dienyl)benzene (PubChem CID 79323612) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is (5-chloro-4-methylpenta-1,3-dienyl)benzene.

Molecular Properties

Compound Name(5-chloro-4-methylpenta-1,3-dienyl)benzene
PubChem CID79323612
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name(5-chloro-4-methylpenta-1,3-dienyl)benzene
SMILESCC(=CC=Cc1ccccc1)CCl
InChIInChI=1S/C12H13Cl/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyQTCLAPPJDAHYEK-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylpenta-1,3-dienylbenzene
CID 3614395
[(2Z,4E)-1-chloro-5-phenylpenta-2,4-dien-2-yl]-trimethylsilane
CID 134978697
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
(2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene
CID 58098457
ethane-1,2-diol;bis(2-methyl-5-phenylpenta-2,4-dienoic acid)
CID 173388438
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-chlorobenzene
CID 73060329
4-(5-phenylpenta-2,4-dien-2-yl)phenol
CID 87425286

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylpenta-1,3-dienyl)benzene?
The IUPAC name of (5-chloro-4-methylpenta-1,3-dienyl)benzene (CID 79323612) is (5-chloro-4-methylpenta-1,3-dienyl)benzene.
What is the SMILES notation for (5-chloro-4-methylpenta-1,3-dienyl)benzene?
The canonical SMILES for (5-chloro-4-methylpenta-1,3-dienyl)benzene is CC(=CC=Cc1ccccc1)CCl.
What is the InChIKey of (5-chloro-4-methylpenta-1,3-dienyl)benzene?
The InChIKey is QTCLAPPJDAHYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-9H,10H2,1H3.
What are the key properties of (5-chloro-4-methylpenta-1,3-dienyl)benzene?
(5-chloro-4-methylpenta-1,3-dienyl)benzene has a molecular weight of 192.69 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylpenta-1,3-dienyl)benzene is sourced from PubChem (CID 79323612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).