3-methyl-3-phenylbutan-2-ol

C11H16O — CID 13130283

IUPAC3-methyl-3-phenylbutan-2-ol
SMILESCC(O)C(C)(C)c1ccccc1
InChIInChI=1S/C11H16O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-9,12H,1-3H3
InChIKeyHGAVQGLFENEAOM-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-3-phenylbutan-2-ol

3-methyl-3-phenylbutan-2-ol (PubChem CID 13130283) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methyl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-3-phenylbutan-2-ol
PubChem CID13130283
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-methyl-3-phenylbutan-2-ol
SMILESCC(O)C(C)(C)c1ccccc1
InChIInChI=1S/C11H16O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-9,12H,1-3H3
InChIKeyHGAVQGLFENEAOM-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylbutan-2-ol?
The IUPAC name of 3-methyl-3-phenylbutan-2-ol (CID 13130283) is 3-methyl-3-phenylbutan-2-ol.
What is the SMILES notation for 3-methyl-3-phenylbutan-2-ol?
The canonical SMILES for 3-methyl-3-phenylbutan-2-ol is CC(O)C(C)(C)c1ccccc1.
What is the InChIKey of 3-methyl-3-phenylbutan-2-ol?
The InChIKey is HGAVQGLFENEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-9,12H,1-3H3.
What are the key properties of 3-methyl-3-phenylbutan-2-ol?
3-methyl-3-phenylbutan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylbutan-2-ol is sourced from PubChem (CID 13130283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).