2-methyl-6-phenylhexan-2-ol

C13H20O — CID 12716611

IUPAC2-methyl-6-phenylhexan-2-ol
SMILESCC(C)(O)CCCCc1ccccc1
InChIInChI=1S/C13H20O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,14H,6-7,10-11H2,1-2H3
InChIKeyDYMYIGYGEIXHDY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.17
Rot. Bonds5

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

2-methyl-6-phenylhexan-2-ol (PubChem CID 12716611) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-6-phenylhexan-2-ol.

Molecular Properties

Compound Name2-methyl-6-phenylhexan-2-ol
PubChem CID12716611
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyl-6-phenylhexan-2-ol
SMILESCC(C)(O)CCCCc1ccccc1
InChIInChI=1S/C13H20O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,14H,6-7,10-11H2,1-2H3
InChIKeyDYMYIGYGEIXHDY-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
CID 57130205
6-(4-ethylphenyl)-2-methylhexan-2-ol
CID 98014254
27,27-dimethyloctacosylbenzene
CID 140589361
6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
CID 154978899
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2-ethoxy-6-phenylhexan-2-ol
CID 140824356
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
hydroxy-(2-methyl-6-phenylhexan-2-yl)-diphenylsilane
CID 70887086
7-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
1,5-diphenylpentane-1,1-diol
CID 67670316
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
CID 98015312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylhexan-2-ol?
The IUPAC name of 2-methyl-6-phenylhexan-2-ol (CID 12716611) is 2-methyl-6-phenylhexan-2-ol.
What is the SMILES notation for 2-methyl-6-phenylhexan-2-ol?
The canonical SMILES for 2-methyl-6-phenylhexan-2-ol is CC(C)(O)CCCCc1ccccc1.
What is the InChIKey of 2-methyl-6-phenylhexan-2-ol?
The InChIKey is DYMYIGYGEIXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,14H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-6-phenylhexan-2-ol?
2-methyl-6-phenylhexan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylhexan-2-ol is sourced from PubChem (CID 12716611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).