1-chloro-4-[(E)-hex-3-enyl]benzene

C12H15Cl — CID 57078477

IUPAC1-chloro-4-[(E)-hex-3-enyl]benzene
SMILESCC/C=C/CCc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h3-4,7-10H,2,5-6H2,1H3/b4-3+
InChIKeyXRSFFACLRXYVLM-ONEGZZNKSA-N
MW194.70 g/mol
LogP4.24
Rot. Bonds4

About 1-chloro-4-[(E)-hex-3-enyl]benzene

1-chloro-4-[(E)-hex-3-enyl]benzene (PubChem CID 57078477) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 1-chloro-4-[(E)-hex-3-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-hex-3-enyl]benzene
PubChem CID57078477
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name1-chloro-4-[(E)-hex-3-enyl]benzene
SMILESCC/C=C/CCc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h3-4,7-10H,2,5-6H2,1H3/b4-3+
InChIKeyXRSFFACLRXYVLM-ONEGZZNKSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-hex-3-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-hex-3-enyl]benzene (CID 57078477) is 1-chloro-4-[(E)-hex-3-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-hex-3-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-hex-3-enyl]benzene is CC/C=C/CCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-hex-3-enyl]benzene?
The InChIKey is XRSFFACLRXYVLM-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H15Cl/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h3-4,7-10H,2,5-6H2,1H3/b4-3+.
What are the key properties of 1-chloro-4-[(E)-hex-3-enyl]benzene?
1-chloro-4-[(E)-hex-3-enyl]benzene has a molecular weight of 194.70 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-hex-3-enyl]benzene is sourced from PubChem (CID 57078477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).