6-(2-chlorophenyl)-2-methylhexan-3-ol

C13H19ClO — CID 64516556

IUPAC6-(2-chlorophenyl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCc1ccccc1Cl
InChIInChI=1S/C13H19ClO/c1-10(2)13(15)9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,10,13,15H,5,7,9H2,1-2H3
InChIKeyWSXXQEODGBTLBQ-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.68
Rot. Bonds5

About 6-(2-chlorophenyl)-2-methylhexan-3-ol

6-(2-chlorophenyl)-2-methylhexan-3-ol (PubChem CID 64516556) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-methylhexan-3-ol.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-methylhexan-3-ol
PubChem CID64516556
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name6-(2-chlorophenyl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCc1ccccc1Cl
InChIInChI=1S/C13H19ClO/c1-10(2)13(15)9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,10,13,15H,5,7,9H2,1-2H3
InChIKeyWSXXQEODGBTLBQ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(2-chlorophenyl)pentan-3-ol
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azane;1-butyl-2-chlorobenzene
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2-methyl-7-phenylheptan-3-ol
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4-amino-1-(2-chlorophenyl)heptan-3-ol
CID 83924269
5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
CID 19022866
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-methylhexan-3-ol?
The IUPAC name of 6-(2-chlorophenyl)-2-methylhexan-3-ol (CID 64516556) is 6-(2-chlorophenyl)-2-methylhexan-3-ol.
What is the SMILES notation for 6-(2-chlorophenyl)-2-methylhexan-3-ol?
The canonical SMILES for 6-(2-chlorophenyl)-2-methylhexan-3-ol is CC(C)C(O)CCCc1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-2-methylhexan-3-ol?
The InChIKey is WSXXQEODGBTLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-10(2)13(15)9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,10,13,15H,5,7,9H2,1-2H3.
What are the key properties of 6-(2-chlorophenyl)-2-methylhexan-3-ol?
6-(2-chlorophenyl)-2-methylhexan-3-ol has a molecular weight of 226.75 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-methylhexan-3-ol is sourced from PubChem (CID 64516556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).