1-chloro-4-(4-methylpent-1-enyl)benzene

C12H15Cl — CID 156766327

IUPAC1-chloro-4-(4-methylpent-1-enyl)benzene
SMILESCC(C)CC=Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl/c1-10(2)4-3-5-11-6-8-12(13)9-7-11/h3,5-10H,4H2,1-2H3
InChIKeyDNVSPIHIPCILMF-UHFFFAOYSA-N
MW194.71 g/mol
LogP4.40
Rot. Bonds3

About 1-chloro-4-(4-methylpent-1-enyl)benzene

1-chloro-4-(4-methylpent-1-enyl)benzene (PubChem CID 156766327) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 1-chloro-4-(4-methylpent-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-methylpent-1-enyl)benzene
PubChem CID156766327
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name1-chloro-4-(4-methylpent-1-enyl)benzene
SMILESCC(C)CC=Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl/c1-10(2)4-3-5-11-6-8-12(13)9-7-11/h3,5-10H,4H2,1-2H3
InChIKeyDNVSPIHIPCILMF-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 118334247
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1-chloro-4-[(E)-3-methylsulfanylprop-1-enyl]benzene
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1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
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1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
2-[(E)-4-methylpent-1-enyl]naphthalene
CID 15318830
1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
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1-chloro-4-(6-methyl-3-nitrosohept-1-enyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methylpent-1-enyl)benzene?
The IUPAC name of 1-chloro-4-(4-methylpent-1-enyl)benzene (CID 156766327) is 1-chloro-4-(4-methylpent-1-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-methylpent-1-enyl)benzene?
The canonical SMILES for 1-chloro-4-(4-methylpent-1-enyl)benzene is CC(C)CC=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-methylpent-1-enyl)benzene?
The InChIKey is DNVSPIHIPCILMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-10(2)4-3-5-11-6-8-12(13)9-7-11/h3,5-10H,4H2,1-2H3.
What are the key properties of 1-chloro-4-(4-methylpent-1-enyl)benzene?
1-chloro-4-(4-methylpent-1-enyl)benzene has a molecular weight of 194.71 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methylpent-1-enyl)benzene is sourced from PubChem (CID 156766327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).