(2R)-3-methyl-2-phenylbut-3-en-2-ol

C11H14O — CID 102163421

IUPAC(2R)-3-methyl-2-phenylbut-3-en-2-ol
SMILESC=C(C)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C11H14O/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-8,12H,1H2,2-3H3/t11-/m1/s1
InChIKeyYDCKXLWIUVZWAD-LLVKDONJSA-N
MW162.23 g/mol
LogP2.47
Rot. Bonds2

About (2R)-3-methyl-2-phenylbut-3-en-2-ol

(2R)-3-methyl-2-phenylbut-3-en-2-ol (PubChem CID 102163421) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R)-3-methyl-2-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-phenylbut-3-en-2-ol
PubChem CID102163421
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(2R)-3-methyl-2-phenylbut-3-en-2-ol
SMILESC=C(C)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C11H14O/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-8,12H,1H2,2-3H3/t11-/m1/s1
InChIKeyYDCKXLWIUVZWAD-LLVKDONJSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-3-methyl-2-phenylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4-trimethyl-2-phenylpent-4-en-2-ol
CID 101413424
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-methyl-3-phenylpent-1-en-3-ol
CID 79189457
2,4-dimethyl-4-phenylpent-1-en-3-ol
CID 115817266
4-(2-hydroxy-3-methylbut-3-en-2-yl)benzonitrile
CID 115481601
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
2-methyl-3-phenylhex-1-en-3-ol
CID 79189564
2-(furan-3-yl)-3-methylbut-3-en-2-ol
CID 115467221
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
diphenylmethanediol;dihydrochloride
CID 174953837

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-phenylbut-3-en-2-ol?
The IUPAC name of (2R)-3-methyl-2-phenylbut-3-en-2-ol (CID 102163421) is (2R)-3-methyl-2-phenylbut-3-en-2-ol.
What is the SMILES notation for (2R)-3-methyl-2-phenylbut-3-en-2-ol?
The canonical SMILES for (2R)-3-methyl-2-phenylbut-3-en-2-ol is C=C(C)[C@@](C)(O)c1ccccc1.
What is the InChIKey of (2R)-3-methyl-2-phenylbut-3-en-2-ol?
The InChIKey is YDCKXLWIUVZWAD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-8,12H,1H2,2-3H3/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-2-phenylbut-3-en-2-ol?
(2R)-3-methyl-2-phenylbut-3-en-2-ol has a molecular weight of 162.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-phenylbut-3-en-2-ol is sourced from PubChem (CID 102163421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).