1-chloro-3-[(E)-2-methylpent-1-enyl]benzene

C12H15Cl — CID 174941626

IUPAC1-chloro-3-[(E)-2-methylpent-1-enyl]benzene
SMILESCCC/C(C)=C/c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl/c1-3-5-10(2)8-11-6-4-7-12(13)9-11/h4,6-9H,3,5H2,1-2H3/b10-8+
InChIKeySLBRQHTWICUZON-CSKARUKUSA-N
MW194.71 g/mol
LogP4.54
Rot. Bonds3

About 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene

1-chloro-3-[(E)-2-methylpent-1-enyl]benzene (PubChem CID 174941626) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(E)-2-methylpent-1-enyl]benzene
PubChem CID174941626
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name1-chloro-3-[(E)-2-methylpent-1-enyl]benzene
SMILESCCC/C(C)=C/c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl/c1-3-5-10(2)8-11-6-4-7-12(13)9-11/h4,6-9H,3,5H2,1-2H3/b10-8+
InChIKeySLBRQHTWICUZON-CSKARUKUSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene?
The IUPAC name of 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene (CID 174941626) is 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene.
What is the SMILES notation for 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene?
The canonical SMILES for 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene is CCC/C(C)=C/c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene?
The InChIKey is SLBRQHTWICUZON-CSKARUKUSA-N. The full InChI is InChI=1S/C12H15Cl/c1-3-5-10(2)8-11-6-4-7-12(13)9-11/h4,6-9H,3,5H2,1-2H3/b10-8+.
What are the key properties of 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene?
1-chloro-3-[(E)-2-methylpent-1-enyl]benzene has a molecular weight of 194.71 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(E)-2-methylpent-1-enyl]benzene is sourced from PubChem (CID 174941626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).