3-methyl-6-phenylhexan-2-ol

C13H20O — CID 54498182

IUPAC3-methyl-6-phenylhexan-2-ol
SMILESCC(O)C(C)CCCc1ccccc1
InChIInChI=1S/C13H20O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3
InChIKeyYAPAYSATUVHIIB-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.03
Rot. Bonds5

About 3-methyl-6-phenylhexan-2-ol

3-methyl-6-phenylhexan-2-ol (PubChem CID 54498182) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-methyl-6-phenylhexan-2-ol.

Molecular Properties

Compound Name3-methyl-6-phenylhexan-2-ol
PubChem CID54498182
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-methyl-6-phenylhexan-2-ol
SMILESCC(O)C(C)CCCc1ccccc1
InChIInChI=1S/C13H20O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3
InChIKeyYAPAYSATUVHIIB-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
6-(3-aminophenyl)-3-methylhexan-2-ol
CID 89100979
N,3-dimethyl-6-phenylhexan-2-amine
CID 61485141
4-methyl-8-phenyloctan-3-ol
CID 114334468
4-methyl-7-phenylheptan-2-ol
CID 64718783
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
2-methyl-7-phenylheptan-3-ol
CID 10976646
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(2R)-5-phenylpentane-1,2-diol
CID 102483629
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenylhexan-2-ol?
The IUPAC name of 3-methyl-6-phenylhexan-2-ol (CID 54498182) is 3-methyl-6-phenylhexan-2-ol.
What is the SMILES notation for 3-methyl-6-phenylhexan-2-ol?
The canonical SMILES for 3-methyl-6-phenylhexan-2-ol is CC(O)C(C)CCCc1ccccc1.
What is the InChIKey of 3-methyl-6-phenylhexan-2-ol?
The InChIKey is YAPAYSATUVHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3.
What are the key properties of 3-methyl-6-phenylhexan-2-ol?
3-methyl-6-phenylhexan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylhexan-2-ol is sourced from PubChem (CID 54498182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).