1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene

C15H21Cl — CID 20523347

IUPAC1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1CCCC(Cl)CC
InChIInChI=1S/C15H21Cl/c1-4-14(16)10-7-9-13-8-5-6-11-15(13)12(2)3/h5-6,8,11,14H,2,4,7,9-10H2,1,3H3
InChIKeySITGNYZSUPCORW-UHFFFAOYSA-N
MW236.79 g/mol
LogP5.06
Rot. Bonds6

About 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene

1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene (PubChem CID 20523347) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene
PubChem CID20523347
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1CCCC(Cl)CC
InChIInChI=1S/C15H21Cl/c1-4-14(16)10-7-9-13-8-5-6-11-15(13)12(2)3/h5-6,8,11,14H,2,4,7,9-10H2,1,3H3
InChIKeySITGNYZSUPCORW-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.79
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
CID 177208667
1-(4-chlorohexyl)-2-fluorobenzene
CID 64507075
1-pent-4-enyl-2-prop-1-en-2-ylbenzene
CID 143278192
1-(4-chlorohexyl)-2-methoxybenzene
CID 64507973
1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene
CID 163584617
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
1-(4-chloroheptyl)-2-fluorobenzene
CID 64513555
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
5-chlorohept-1-en-2-ylbenzene
CID 66808379

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene (CID 20523347) is 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene is C=C(C)c1ccccc1CCCC(Cl)CC.
What is the InChIKey of 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene?
The InChIKey is SITGNYZSUPCORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-4-14(16)10-7-9-13-8-5-6-11-15(13)12(2)3/h5-6,8,11,14H,2,4,7,9-10H2,1,3H3.
What are the key properties of 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene?
1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene has a molecular weight of 236.79 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 20523347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).