1-(4-chloro-3-methylphenyl)hex-5-en-1-ol

C13H17ClO — CID 115804467

IUPAC1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C13H17ClO/c1-3-4-5-6-13(15)11-7-8-12(14)10(2)9-11/h3,7-9,13,15H,1,4-6H2,2H3
InChIKeyCIOYLBDCUDAHEZ-UHFFFAOYSA-N
MW224.73 g/mol
LogP4.04
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol

1-(4-chloro-3-methylphenyl)hex-5-en-1-ol (PubChem CID 115804467) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
PubChem CID115804467
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C13H17ClO/c1-3-4-5-6-13(15)11-7-8-12(14)10(2)9-11/h3,7-9,13,15H,1,4-6H2,2H3
InChIKeyCIOYLBDCUDAHEZ-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-(4-chloro-3-methylphenyl)but-3-en-1-ol
CID 2757692
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(4-chloro-3-methylphenyl)pent-4-enylhydrazine
CID 105311524
1-(4-chloro-3-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780257
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
1-(4-chloro-3-methylphenyl)-3-(diethylamino)propan-1-ol
CID 82074586
1-(4-iodophenyl)hex-5-en-1-ol
CID 115804427
1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
CID 105102029
1-(4-chloro-3-methylphenyl)but-3-yn-1-ol
CID 115840154

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol (CID 115804467) is 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol is C=CCCCC(O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol?
The InChIKey is CIOYLBDCUDAHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-3-4-5-6-13(15)11-7-8-12(14)10(2)9-11/h3,7-9,13,15H,1,4-6H2,2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol?
1-(4-chloro-3-methylphenyl)hex-5-en-1-ol has a molecular weight of 224.73 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)hex-5-en-1-ol is sourced from PubChem (CID 115804467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).