(2R)-1-phenylbutan-2-ol

C10H14O — CID 7003733

IUPAC(2R)-1-phenylbutan-2-ol
SMILESCC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-/m1/s1
InChIKeyLYUPJHVGLFETDG-SNVBAGLBSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds3

About (2R)-1-phenylbutan-2-ol

(2R)-1-phenylbutan-2-ol (PubChem CID 7003733) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2R)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenylbutan-2-ol
PubChem CID7003733
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2R)-1-phenylbutan-2-ol
SMILESCC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-/m1/s1
InChIKeyLYUPJHVGLFETDG-SNVBAGLBSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylbutan-2-ol?
The IUPAC name of (2R)-1-phenylbutan-2-ol (CID 7003733) is (2R)-1-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-phenylbutan-2-ol is CC[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2R)-1-phenylbutan-2-ol?
The InChIKey is LYUPJHVGLFETDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-phenylbutan-2-ol?
(2R)-1-phenylbutan-2-ol has a molecular weight of 150.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylbutan-2-ol is sourced from PubChem (CID 7003733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).