6-(4-chlorophenyl)hex-2-enyl formate

C13H15ClO2 — CID 90984079

IUPAC6-(4-chlorophenyl)hex-2-enyl formate
SMILESO=COCC=CCCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO2/c14-13-8-6-12(7-9-13)5-3-1-2-4-10-16-11-15/h2,4,6-9,11H,1,3,5,10H2
InChIKeyRPUOMARCWXRWPG-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.39
Rot. Bonds7

About 6-(4-chlorophenyl)hex-2-enyl formate

6-(4-chlorophenyl)hex-2-enyl formate (PubChem CID 90984079) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)hex-2-enyl formate.

Molecular Properties

Compound Name6-(4-chlorophenyl)hex-2-enyl formate
PubChem CID90984079
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name6-(4-chlorophenyl)hex-2-enyl formate
SMILESO=COCC=CCCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO2/c14-13-8-6-12(7-9-13)5-3-1-2-4-10-16-11-15/h2,4,6-9,11H,1,3,5,10H2
InChIKeyRPUOMARCWXRWPG-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-chlorophenyl)hex-2-enyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)but-2-enyl formate
CID 91308885
5-(4-chlorophenyl)pent-3-enyl formate
CID 91804697
7-(4-chlorophenyl)hept-4-enal
CID 91303083
1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
CID 71056346
3-(4-chlorophenyl)propanal;dihydrochloride
CID 141114380
3-(4-chlorophenyl)propanal;ethane
CID 142069464
6-(4-chlorophenyl)hex-5-enyl formate
CID 91353825
3-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 23081194
1-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
3-(2,4-dichlorophenyl)prop-2-enyl formate
CID 90884165
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
1-chloro-4-[2-(4-pent-4-enylphenyl)ethynyl]benzene
CID 139750869

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)hex-2-enyl formate?
The IUPAC name of 6-(4-chlorophenyl)hex-2-enyl formate (CID 90984079) is 6-(4-chlorophenyl)hex-2-enyl formate.
What is the SMILES notation for 6-(4-chlorophenyl)hex-2-enyl formate?
The canonical SMILES for 6-(4-chlorophenyl)hex-2-enyl formate is O=COCC=CCCCc1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)hex-2-enyl formate?
The InChIKey is RPUOMARCWXRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-13-8-6-12(7-9-13)5-3-1-2-4-10-16-11-15/h2,4,6-9,11H,1,3,5,10H2.
What are the key properties of 6-(4-chlorophenyl)hex-2-enyl formate?
6-(4-chlorophenyl)hex-2-enyl formate has a molecular weight of 238.71 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)hex-2-enyl formate is sourced from PubChem (CID 90984079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).