3-methyl-2-phenylpentan-2-ol

C12H18O — CID 13024634

IUPAC3-methyl-2-phenylpentan-2-ol
SMILESCCC(C)C(C)(O)c1ccccc1
InChIInChI=1S/C12H18O/c1-4-10(2)12(3,13)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3
InChIKeyJJYZAAGVSUZICR-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds3

About 3-methyl-2-phenylpentan-2-ol

3-methyl-2-phenylpentan-2-ol (PubChem CID 13024634) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-2-phenylpentan-2-ol.

Molecular Properties

Compound Name3-methyl-2-phenylpentan-2-ol
PubChem CID13024634
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name3-methyl-2-phenylpentan-2-ol
SMILESCCC(C)C(C)(O)c1ccccc1
InChIInChI=1S/C12H18O/c1-4-10(2)12(3,13)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3
InChIKeyJJYZAAGVSUZICR-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
2-ethyl-3-hydroxy-3-phenylbutanenitrile
CID 79129309
3-methyl-2-thiophen-3-ylpentan-2-ol
CID 65100069
(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
CID 10583846
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
tert-butylbenzene;3-ethyl-2-methylpentane
CID 177346689
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylpentan-2-ol?
The IUPAC name of 3-methyl-2-phenylpentan-2-ol (CID 13024634) is 3-methyl-2-phenylpentan-2-ol.
What is the SMILES notation for 3-methyl-2-phenylpentan-2-ol?
The canonical SMILES for 3-methyl-2-phenylpentan-2-ol is CCC(C)C(C)(O)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylpentan-2-ol?
The InChIKey is JJYZAAGVSUZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-10(2)12(3,13)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3.
What are the key properties of 3-methyl-2-phenylpentan-2-ol?
3-methyl-2-phenylpentan-2-ol has a molecular weight of 178.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylpentan-2-ol is sourced from PubChem (CID 13024634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).