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

C12H15Cl — CID 175414445

IUPAC(2-chloro-4-methylpent-1-enyl)benzene
SMILESCC(C)CC(Cl)=Cc1ccccc1
InChIInChI=1S/C12H15Cl/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyZXFLTSXZEMTDTN-UHFFFAOYSA-N
MW194.71 g/mol
LogP4.31
Rot. Bonds3

About (2-chloro-4-methylpent-1-enyl)benzene

(2-chloro-4-methylpent-1-enyl)benzene (PubChem CID 175414445) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is (2-chloro-4-methylpent-1-enyl)benzene.

Molecular Properties

Compound Name(2-chloro-4-methylpent-1-enyl)benzene
PubChem CID175414445
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name(2-chloro-4-methylpent-1-enyl)benzene
SMILESCC(C)CC(Cl)=Cc1ccccc1
InChIInChI=1S/C12H15Cl/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyZXFLTSXZEMTDTN-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloropent-1-enylbenzene
CID 54481517
(E,5R)-2-chloro-5-hydroxy-1-phenylhex-1-en-3-one
CID 177494655
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
(E)-6-methyl-1,2-diphenylhept-1-ene-3,4-dione
CID 102352907
(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine
CID 100948034
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
(4-methyl-2-propan-2-ylhex-1-enyl)benzene
CID 90737119
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
(2-chloro-3,3-difluoroprop-1-enyl)benzene
CID 175913510
(E,5R)-2-chloro-5-hydroxy-1-phenylhept-1-en-3-one
CID 177395077

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylpent-1-enyl)benzene?
The IUPAC name of (2-chloro-4-methylpent-1-enyl)benzene (CID 175414445) is (2-chloro-4-methylpent-1-enyl)benzene.
What is the SMILES notation for (2-chloro-4-methylpent-1-enyl)benzene?
The canonical SMILES for (2-chloro-4-methylpent-1-enyl)benzene is CC(C)CC(Cl)=Cc1ccccc1.
What is the InChIKey of (2-chloro-4-methylpent-1-enyl)benzene?
The InChIKey is ZXFLTSXZEMTDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of (2-chloro-4-methylpent-1-enyl)benzene?
(2-chloro-4-methylpent-1-enyl)benzene has a molecular weight of 194.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylpent-1-enyl)benzene is sourced from PubChem (CID 175414445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).