2,2,4,4-tetramethyl-1-phenylpentan-3-ol

C15H24O — CID 57049291

IUPAC2,2,4,4-tetramethyl-1-phenylpentan-3-ol
SMILESCC(C)(C)C(O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24O/c1-14(2,3)13(16)15(4,5)11-12-9-7-6-8-10-12/h6-10,13,16H,11H2,1-5H3
InChIKeyXPEAAFMEEOBTGW-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.66
Rot. Bonds3

About 2,2,4,4-tetramethyl-1-phenylpentan-3-ol

2,2,4,4-tetramethyl-1-phenylpentan-3-ol (PubChem CID 57049291) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-phenylpentan-3-ol
PubChem CID57049291
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,2,4,4-tetramethyl-1-phenylpentan-3-ol
SMILESCC(C)(C)C(O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24O/c1-14(2,3)13(16)15(4,5)11-12-9-7-6-8-10-12/h6-10,13,16H,11H2,1-5H3
InChIKeyXPEAAFMEEOBTGW-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4-trimethyl-1,5-diphenylpentan-3-ol
CID 139443987
(3S)-4,4-dimethyl-5-phenylpent-1-yn-3-ol
CID 11665538
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-fluoro-2-methylpropyl)benzene
CID 14343442
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
(2,2-dimethyl-1-phenylpentan-3-yl)benzene
CID 90849457
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
phenyl (3S)-3-hydroxy-4,4-dimethyl-5-phenylpentanoate
CID 15401349
(6S)-6-hydroxy-2,7,7-trimethyl-8-phenyloct-2-en-4-one
CID 11173014

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-phenylpentan-3-ol?
The IUPAC name of 2,2,4,4-tetramethyl-1-phenylpentan-3-ol (CID 57049291) is 2,2,4,4-tetramethyl-1-phenylpentan-3-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-phenylpentan-3-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-1-phenylpentan-3-ol is CC(C)(C)C(O)C(C)(C)Cc1ccccc1.
What is the InChIKey of 2,2,4,4-tetramethyl-1-phenylpentan-3-ol?
The InChIKey is XPEAAFMEEOBTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2,3)13(16)15(4,5)11-12-9-7-6-8-10-12/h6-10,13,16H,11H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethyl-1-phenylpentan-3-ol?
2,2,4,4-tetramethyl-1-phenylpentan-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-phenylpentan-3-ol is sourced from PubChem (CID 57049291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).