2-methyl-3-phenylbutan-2-ol

C11H16O — CID 18663

IUPAC2-methyl-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(C)(C)O
InChIInChI=1S/C11H16O/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9,12H,1-3H3
InChIKeyXXGXYJJUPNMOCT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.56
Rot. Bonds2

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

2-methyl-3-phenylbutan-2-ol (PubChem CID 18663) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-3-phenylbutan-2-ol
PubChem CID18663
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-methyl-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(C)(C)O
InChIInChI=1S/C11H16O/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9,12H,1-3H3
InChIKeyXXGXYJJUPNMOCT-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylbutan-2-ol?
The IUPAC name of 2-methyl-3-phenylbutan-2-ol (CID 18663) is 2-methyl-3-phenylbutan-2-ol.
What is the SMILES notation for 2-methyl-3-phenylbutan-2-ol?
The canonical SMILES for 2-methyl-3-phenylbutan-2-ol is CC(c1ccccc1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-phenylbutan-2-ol?
The InChIKey is XXGXYJJUPNMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9,12H,1-3H3.
What are the key properties of 2-methyl-3-phenylbutan-2-ol?
2-methyl-3-phenylbutan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylbutan-2-ol is sourced from PubChem (CID 18663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).