1-(3,5-dichlorophenyl)hexan-1-ol

C12H16Cl2O — CID 65149742

IUPAC1-(3,5-dichlorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2O/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3
InChIKeyVUOWTJQLWXALIZ-UHFFFAOYSA-N
MW247.16 g/mol
LogP4.61
Rot. Bonds5

About 1-(3,5-dichlorophenyl)hexan-1-ol

1-(3,5-dichlorophenyl)hexan-1-ol (PubChem CID 65149742) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)hexan-1-ol
PubChem CID65149742
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name1-(3,5-dichlorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2O/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3
InChIKeyVUOWTJQLWXALIZ-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 54.61
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-(3-chloro-5-methylphenyl)decan-1-ol
CID 115782985
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(3-bromo-4-chlorophenyl)undecan-1-ol
CID 115566565
2-amino-4-chloro-6-(1-hydroxyhexyl)phenol
CID 70556848
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(3-chloro-5-methylphenyl)nonan-1-amine
CID 115835851

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)hexan-1-ol?
The IUPAC name of 1-(3,5-dichlorophenyl)hexan-1-ol (CID 65149742) is 1-(3,5-dichlorophenyl)hexan-1-ol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)hexan-1-ol?
The canonical SMILES for 1-(3,5-dichlorophenyl)hexan-1-ol is CCCCCC(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)hexan-1-ol?
The InChIKey is VUOWTJQLWXALIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)hexan-1-ol?
1-(3,5-dichlorophenyl)hexan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)hexan-1-ol is sourced from PubChem (CID 65149742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).