6-chloro-1-phenylhexan-1-ol

C12H17ClO — CID 10398289

IUPAC6-chloro-1-phenylhexan-1-ol
SMILESOC(CCCCCCl)c1ccccc1
InChIInChI=1S/C12H17ClO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8,12,14H,2,5-6,9-10H2
InChIKeyBALQUYWJFACVAC-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.52
Rot. Bonds6

About 6-chloro-1-phenylhexan-1-ol

6-chloro-1-phenylhexan-1-ol (PubChem CID 10398289) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 6-chloro-1-phenylhexan-1-ol.

Molecular Properties

Compound Name6-chloro-1-phenylhexan-1-ol
PubChem CID10398289
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name6-chloro-1-phenylhexan-1-ol
SMILESOC(CCCCCCl)c1ccccc1
InChIInChI=1S/C12H17ClO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8,12,14H,2,5-6,9-10H2
InChIKeyBALQUYWJFACVAC-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-phenylpentan-1-ol
CID 14449235
1-phenyldecane-1,10-diol
CID 15255187
(1R)-1-phenyloctan-1-ol
CID 12794259
5-bromo-1-phenylpentan-1-ol
CID 121216668
(1S)-2-chloro-1-phenylethanol
CID 643323
(1S)-1-phenylpentan-1-ol
CID 6992754
1,4,4-triphenylbutan-1-ol
CID 141326006
1-phenylpropane-1,3-diol
CID 572059
5-methyl-1-phenylhexan-1-ol
CID 10997859
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
10-isocyanato-1-phenyldecan-1-ol
CID 155127886

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenylhexan-1-ol?
The IUPAC name of 6-chloro-1-phenylhexan-1-ol (CID 10398289) is 6-chloro-1-phenylhexan-1-ol.
What is the SMILES notation for 6-chloro-1-phenylhexan-1-ol?
The canonical SMILES for 6-chloro-1-phenylhexan-1-ol is OC(CCCCCCl)c1ccccc1.
What is the InChIKey of 6-chloro-1-phenylhexan-1-ol?
The InChIKey is BALQUYWJFACVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8,12,14H,2,5-6,9-10H2.
What are the key properties of 6-chloro-1-phenylhexan-1-ol?
6-chloro-1-phenylhexan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-phenylhexan-1-ol is sourced from PubChem (CID 10398289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).