1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene

C12H15Cl — CID 138964218

IUPAC1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
SMILESCC[C@H](C)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h4-10H,3H2,1-2H3/b5-4+/t10-/m0/s1
InChIKeyFWVQXGXTHVTYCJ-YEZKRMTDSA-N
MW194.71 g/mol
LogP4.40
Rot. Bonds3

About 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene

1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene (PubChem CID 138964218) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
PubChem CID138964218
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
SMILESCC[C@H](C)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h4-10H,3H2,1-2H3/b5-4+/t10-/m0/s1
InChIKeyFWVQXGXTHVTYCJ-YEZKRMTDSA-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 103092390
4-(4-chlorophenyl)but-3-en-2-amine
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(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285128
(3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285132
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799
tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
CID 102390527
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene
CID 135202683

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene (CID 138964218) is 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene is CC[C@H](C)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene?
The InChIKey is FWVQXGXTHVTYCJ-YEZKRMTDSA-N. The full InChI is InChI=1S/C12H15Cl/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h4-10H,3H2,1-2H3/b5-4+/t10-/m0/s1.
What are the key properties of 1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene?
1-chloro-4-[(E,3S)-3-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-[(E,3S)-3-methylpent-1-enyl]benzene is sourced from PubChem (CID 138964218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).