2-phenylbutan-2-ol

C10H14O — CID 15283

IUPAC2-phenylbutan-2-ol
SMILESCCC(C)(O)c1ccccc1
InChIInChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKeyXGLHYBVJPSZXIF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds2

About 2-phenylbutan-2-ol

2-phenylbutan-2-ol (PubChem CID 15283) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-phenylbutan-2-ol.

Molecular Properties

Compound Name2-phenylbutan-2-ol
PubChem CID15283
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-phenylbutan-2-ol
SMILESCCC(C)(O)c1ccccc1
InChIInChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKeyXGLHYBVJPSZXIF-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
2-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
Cumene Hydroperoxide
CID 6629
Dicumyl peroxide
CID 6641
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
2-Isopropylphenol
CID 6943
4-Methylbenzyl alcohol
CID 11505
2-Tert-Butylphenol
CID 6923
3-Isopropylphenol
CID 12059

Frequently Asked Questions

What is the IUPAC name of 2-phenylbutan-2-ol?
The IUPAC name of 2-phenylbutan-2-ol (CID 15283) is 2-phenylbutan-2-ol.
What is the SMILES notation for 2-phenylbutan-2-ol?
The canonical SMILES for 2-phenylbutan-2-ol is CCC(C)(O)c1ccccc1.
What is the InChIKey of 2-phenylbutan-2-ol?
The InChIKey is XGLHYBVJPSZXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3.
What are the key properties of 2-phenylbutan-2-ol?
2-phenylbutan-2-ol has a molecular weight of 150.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbutan-2-ol is sourced from PubChem (CID 15283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).