1-(4-chloro-3-methylphenyl)hexan-1-ol

C13H19ClO — CID 115784456

IUPAC1-(4-chloro-3-methylphenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C13H19ClO/c1-3-4-5-6-13(15)11-7-8-12(14)10(2)9-11/h7-9,13,15H,3-6H2,1-2H3
InChIKeyDHDGPZHDKAIDIO-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)hexan-1-ol

1-(4-chloro-3-methylphenyl)hexan-1-ol (PubChem CID 115784456) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)hexan-1-ol
PubChem CID115784456
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(4-chloro-3-methylphenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C13H19ClO/c1-3-4-5-6-13(15)11-7-8-12(14)10(2)9-11/h7-9,13,15H,3-6H2,1-2H3
InChIKeyDHDGPZHDKAIDIO-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(3-bromo-4-chlorophenyl)undecan-1-ol
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1-(4-chloro-3-methylphenyl)-3-(diethylamino)propan-1-ol
CID 82074586
1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
CID 115804467
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780257
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)hexan-1-ol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)hexan-1-ol (CID 115784456) is 1-(4-chloro-3-methylphenyl)hexan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)hexan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)hexan-1-ol is CCCCCC(O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)hexan-1-ol?
The InChIKey is DHDGPZHDKAIDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-3-4-5-6-13(15)11-7-8-12(14)10(2)9-11/h7-9,13,15H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)hexan-1-ol?
1-(4-chloro-3-methylphenyl)hexan-1-ol has a molecular weight of 226.75 g/mol, XLogP of 4.26, 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)hexan-1-ol is sourced from PubChem (CID 115784456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).