3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol

C17H30O2 — CID 69277375

IUPAC3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
SMILESCC(C)(O)CCc1ccccc1.CCC(C)(O)CC
InChIInChI=1S/C11H16O.C6H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10;1-4-6(3,7)5-2/h3-7,12H,8-9H2,1-2H3;7H,4-5H2,1-3H3
InChIKeyCSFIAOOWLOGWMD-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.95
Rot. Bonds5

About 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol

3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol (PubChem CID 69277375) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
PubChem CID69277375
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
SMILESCC(C)(O)CCc1ccccc1.CCC(C)(O)CC
InChIInChI=1S/C11H16O.C6H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10;1-4-6(3,7)5-2/h3-7,12H,8-9H2,1-2H3;7H,4-5H2,1-3H3
InChIKeyCSFIAOOWLOGWMD-UHFFFAOYSA-N
XLogP3.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-phenylhexan-2-ol
CID 12716611
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2-methyl-4-phenylbutan-2-ol;2-phenylethyl acetate
CID 71092180
4-methyl-1-phenylheptan-4-ol
CID 67874665
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
4-hydroxy-4-methyl-6-phenylhexan-3-one
CID 145233910
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
2,2-diethyl-4-phenylbutanenitrile
CID 82138721

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol?
The IUPAC name of 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol (CID 69277375) is 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol?
The canonical SMILES for 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol is CC(C)(O)CCc1ccccc1.CCC(C)(O)CC.
What is the InChIKey of 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol?
The InChIKey is CSFIAOOWLOGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C6H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10;1-4-6(3,7)5-2/h3-7,12H,8-9H2,1-2H3;7H,4-5H2,1-3H3.
What are the key properties of 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol?
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol has a molecular weight of 266.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 69277375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).