6-(4-chlorophenyl)hex-5-enyl formate

C13H15ClO2 — CID 91353825

IUPAC6-(4-chlorophenyl)hex-5-enyl formate
SMILESO=COCCCCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO2/c14-13-8-6-12(7-9-13)5-3-1-2-4-10-16-11-15/h3,5-9,11H,1-2,4,10H2
InChIKeyWYFPEIAMKDCLJR-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.70
Rot. Bonds7

About 6-(4-chlorophenyl)hex-5-enyl formate

6-(4-chlorophenyl)hex-5-enyl formate (PubChem CID 91353825) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)hex-5-enyl formate.

Molecular Properties

Compound Name6-(4-chlorophenyl)hex-5-enyl formate
PubChem CID91353825
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name6-(4-chlorophenyl)hex-5-enyl formate
SMILESO=COCCCCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO2/c14-13-8-6-12(7-9-13)5-3-1-2-4-10-16-11-15/h3,5-9,11H,1-2,4,10H2
InChIKeyWYFPEIAMKDCLJR-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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'}

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Related Compounds

6-phenylhex-5-enyl formate
CID 91069626
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
4-phenylbut-3-enyl formate
CID 91350820
(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride
CID 82486545
ethyl (E,2S)-5-(4-chlorophenyl)-2-(3-formyloxypropyl)-2-methylpent-4-enoate
CID 138623466
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
5-(4-chlorophenyl)pent-3-enyl formate
CID 91804697
3-(4-chlorophenyl)prop-2-ene-1-sulfonyl chloride
CID 174258054
6-(4-chlorophenyl)hex-2-enyl formate
CID 90984079
(E)-9-(4-chlorophenyl)non-8-en-3-yn-2-one
CID 66575152
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
1-chloro-4-[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 131234815

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)hex-5-enyl formate?
The IUPAC name of 6-(4-chlorophenyl)hex-5-enyl formate (CID 91353825) is 6-(4-chlorophenyl)hex-5-enyl formate.
What is the SMILES notation for 6-(4-chlorophenyl)hex-5-enyl formate?
The canonical SMILES for 6-(4-chlorophenyl)hex-5-enyl formate is O=COCCCCC=Cc1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)hex-5-enyl formate?
The InChIKey is WYFPEIAMKDCLJR-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/h3,5-9,11H,1-2,4,10H2.
What are the key properties of 6-(4-chlorophenyl)hex-5-enyl formate?
6-(4-chlorophenyl)hex-5-enyl formate has a molecular weight of 238.71 g/mol, XLogP of 3.70, 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-5-enyl formate is sourced from PubChem (CID 91353825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).