4-phenylpentan-2-ol

C11H16O — CID 3018736

IUPAC4-phenylpentan-2-ol
SMILESCC(O)CC(C)c1ccccc1
InChIInChI=1S/C11H16O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKeyLPZYYWRJFDZTJI-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.56
Rot. Bonds3

About 4-phenylpentan-2-ol

4-phenylpentan-2-ol (PubChem CID 3018736) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-phenylpentan-2-ol.

Molecular Properties

Compound Name4-phenylpentan-2-ol
PubChem CID3018736
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-phenylpentan-2-ol
SMILESCC(O)CC(C)c1ccccc1
InChIInChI=1S/C11H16O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKeyLPZYYWRJFDZTJI-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenylethanol
CID 6054
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523

Frequently Asked Questions

What is the IUPAC name of 4-phenylpentan-2-ol?
The IUPAC name of 4-phenylpentan-2-ol (CID 3018736) is 4-phenylpentan-2-ol.
What is the SMILES notation for 4-phenylpentan-2-ol?
The canonical SMILES for 4-phenylpentan-2-ol is CC(O)CC(C)c1ccccc1.
What is the InChIKey of 4-phenylpentan-2-ol?
The InChIKey is LPZYYWRJFDZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3.
What are the key properties of 4-phenylpentan-2-ol?
4-phenylpentan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpentan-2-ol is sourced from PubChem (CID 3018736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).