3-methyl-1-phenylhexan-2-ol

C13H20O — CID 63018482

IUPAC3-methyl-1-phenylhexan-2-ol
SMILESCCCC(C)C(O)Cc1ccccc1
InChIInChI=1S/C13H20O/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10H2,1-2H3
InChIKeyOKASHNRZHQOUCN-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.03
Rot. Bonds5

About 3-methyl-1-phenylhexan-2-ol

3-methyl-1-phenylhexan-2-ol (PubChem CID 63018482) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-methyl-1-phenylhexan-2-ol.

Molecular Properties

Compound Name3-methyl-1-phenylhexan-2-ol
PubChem CID63018482
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-methyl-1-phenylhexan-2-ol
SMILESCCCC(C)C(O)Cc1ccccc1
InChIInChI=1S/C13H20O/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10H2,1-2H3
InChIKeyOKASHNRZHQOUCN-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

1-phenylhexane-2,3-diol
CID 68731092
1-(3-chlorophenyl)-3-methylhexan-2-ol
CID 63017925
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
3-ethenyl-1-phenylhexan-2-ol
CID 101129248
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-methyl-1-phenyltetradecan-3-ol;hydrate
CID 173347610
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
(3-bromo-2-methylhexyl)benzene
CID 83051885
4-methyl-8-phenyloctan-3-ol
CID 114334468
(4R)-4-methylheptan-3-ol
CID 12799251
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
3-amino-1-phenylpentan-2-ol
CID 57155399

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylhexan-2-ol?
The IUPAC name of 3-methyl-1-phenylhexan-2-ol (CID 63018482) is 3-methyl-1-phenylhexan-2-ol.
What is the SMILES notation for 3-methyl-1-phenylhexan-2-ol?
The canonical SMILES for 3-methyl-1-phenylhexan-2-ol is CCCC(C)C(O)Cc1ccccc1.
What is the InChIKey of 3-methyl-1-phenylhexan-2-ol?
The InChIKey is OKASHNRZHQOUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10H2,1-2H3.
What are the key properties of 3-methyl-1-phenylhexan-2-ol?
3-methyl-1-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-1-phenylhexan-2-ol is sourced from PubChem (CID 63018482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).