4-chlorohex-5-en-2-ylbenzene

C12H15Cl — CID 13095877

IUPAC4-chlorohex-5-en-2-ylbenzene
SMILESC=CC(Cl)CC(C)c1ccccc1
InChIInChI=1S/C12H15Cl/c1-3-12(13)9-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeyXHJYKQFJAQPPPT-UHFFFAOYSA-N
MW194.70 g/mol
LogP3.97
Rot. Bonds4

About 4-chlorohex-5-en-2-ylbenzene

4-chlorohex-5-en-2-ylbenzene (PubChem CID 13095877) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 4-chlorohex-5-en-2-ylbenzene.

Molecular Properties

Compound Name4-chlorohex-5-en-2-ylbenzene
PubChem CID13095877
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name4-chlorohex-5-en-2-ylbenzene
SMILESC=CC(Cl)CC(C)c1ccccc1
InChIInChI=1S/C12H15Cl/c1-3-12(13)9-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeyXHJYKQFJAQPPPT-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-phenylbutane-1,1-diol
CID 18417931
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1-(4-chloropentan-2-yl)-4-phenylbenzene
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(6-methyl-4-phenylheptan-2-yl)benzene
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4-chlorobutan-2-ylbenzene
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N-(2-methyl-4-phenylpentylidene)hydroxylamine
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4,7-diphenyloctan-2-ylbenzene
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(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene
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4-methylheptan-2-ylbenzene
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CID 642190

Frequently Asked Questions

What is the IUPAC name of 4-chlorohex-5-en-2-ylbenzene?
The IUPAC name of 4-chlorohex-5-en-2-ylbenzene (CID 13095877) is 4-chlorohex-5-en-2-ylbenzene.
What is the SMILES notation for 4-chlorohex-5-en-2-ylbenzene?
The canonical SMILES for 4-chlorohex-5-en-2-ylbenzene is C=CC(Cl)CC(C)c1ccccc1.
What is the InChIKey of 4-chlorohex-5-en-2-ylbenzene?
The InChIKey is XHJYKQFJAQPPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-3-12(13)9-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3.
What are the key properties of 4-chlorohex-5-en-2-ylbenzene?
4-chlorohex-5-en-2-ylbenzene has a molecular weight of 194.70 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorohex-5-en-2-ylbenzene is sourced from PubChem (CID 13095877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).