2-chloropent-1-enylbenzene

C11H13Cl — CID 54481517

IUPAC2-chloropent-1-enylbenzene
SMILESCCCC(Cl)=Cc1ccccc1
InChIInChI=1S/C11H13Cl/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyXPHUCVSAHDYONN-UHFFFAOYSA-N
MW180.68 g/mol
LogP4.07
Rot. Bonds3

About 2-chloropent-1-enylbenzene

2-chloropent-1-enylbenzene (PubChem CID 54481517) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 2-chloropent-1-enylbenzene.

Molecular Properties

Compound Name2-chloropent-1-enylbenzene
PubChem CID54481517
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name2-chloropent-1-enylbenzene
SMILESCCCC(Cl)=Cc1ccccc1
InChIInChI=1S/C11H13Cl/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyXPHUCVSAHDYONN-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
(2-chloro-4-methylpent-1-enyl)benzene
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(Z)-1-(butylamino)-2-phenylethenol
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[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(Z)-3-chloro-4-phenylbut-3-enyl] prop-2-enoate
CID 141217018
2-(chloromethyl)oct-1-enylbenzene
CID 69226716
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
(2E)-2-benzylidenehexanoic acid
CID 5354388
2-(chloromethyl)but-1-enylbenzene
CID 54330617
[(E)-2-methylsulfanylbut-1-enyl]benzene
CID 134994915
[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene
CID 134987860
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023

Frequently Asked Questions

What is the IUPAC name of 2-chloropent-1-enylbenzene?
The IUPAC name of 2-chloropent-1-enylbenzene (CID 54481517) is 2-chloropent-1-enylbenzene.
What is the SMILES notation for 2-chloropent-1-enylbenzene?
The canonical SMILES for 2-chloropent-1-enylbenzene is CCCC(Cl)=Cc1ccccc1.
What is the InChIKey of 2-chloropent-1-enylbenzene?
The InChIKey is XPHUCVSAHDYONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 2-chloropent-1-enylbenzene?
2-chloropent-1-enylbenzene has a molecular weight of 180.68 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropent-1-enylbenzene is sourced from PubChem (CID 54481517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).