4,4-dimethyl-3-phenylpentan-2-ol

C13H20O — CID 91224802

IUPAC4,4-dimethyl-3-phenylpentan-2-ol
SMILESCC(O)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H20O/c1-10(14)12(13(2,3)4)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3
InChIKeyPMJVNRWMQGTCDT-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.20
Rot. Bonds2

About 4,4-dimethyl-3-phenylpentan-2-ol

4,4-dimethyl-3-phenylpentan-2-ol (PubChem CID 91224802) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4,4-dimethyl-3-phenylpentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-phenylpentan-2-ol
PubChem CID91224802
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4,4-dimethyl-3-phenylpentan-2-ol
SMILESCC(O)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H20O/c1-10(14)12(13(2,3)4)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3
InChIKeyPMJVNRWMQGTCDT-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methylpropan-2-ol;1-phenylethanol
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4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
CID 141291359
2,3-dimethylbutane-2,3-diol;1-phenylethanol
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(1S)-1-phenylethanol
CID 157125626
2,2,4-trimethyloctan-3-ylbenzene
CID 151316851
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
CID 102384841
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
azane;(1R)-1-phenylethanol
CID 126646564
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(2-methyl-3,4-diphenylpentan-2-yl)benzene
CID 173387028

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-phenylpentan-2-ol?
The IUPAC name of 4,4-dimethyl-3-phenylpentan-2-ol (CID 91224802) is 4,4-dimethyl-3-phenylpentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-3-phenylpentan-2-ol?
The canonical SMILES for 4,4-dimethyl-3-phenylpentan-2-ol is CC(O)C(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-phenylpentan-2-ol?
The InChIKey is PMJVNRWMQGTCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(14)12(13(2,3)4)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3.
What are the key properties of 4,4-dimethyl-3-phenylpentan-2-ol?
4,4-dimethyl-3-phenylpentan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-phenylpentan-2-ol is sourced from PubChem (CID 91224802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).