(2R)-4-(4-methylphenyl)but-3-en-2-ol

C11H14O — CID 131852428

IUPAC(2R)-4-(4-methylphenyl)but-3-en-2-ol
SMILESCc1ccc(C=C[C@@H](C)O)cc1
InChIInChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8,10,12H,1-2H3/t10-/m1/s1
InChIKeyFQBWGGNZOFDJAD-SNVBAGLBSA-N
MW162.23 g/mol
LogP2.39
Rot. Bonds2

About (2R)-4-(4-methylphenyl)but-3-en-2-ol

(2R)-4-(4-methylphenyl)but-3-en-2-ol (PubChem CID 131852428) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R)-4-(4-methylphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-methylphenyl)but-3-en-2-ol
PubChem CID131852428
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(2R)-4-(4-methylphenyl)but-3-en-2-ol
SMILESCc1ccc(C=C[C@@H](C)O)cc1
InChIInChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8,10,12H,1-2H3/t10-/m1/s1
InChIKeyFQBWGGNZOFDJAD-SNVBAGLBSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methylphenyl)but-3-en-2-ol?
The IUPAC name of (2R)-4-(4-methylphenyl)but-3-en-2-ol (CID 131852428) is (2R)-4-(4-methylphenyl)but-3-en-2-ol.
What is the SMILES notation for (2R)-4-(4-methylphenyl)but-3-en-2-ol?
The canonical SMILES for (2R)-4-(4-methylphenyl)but-3-en-2-ol is Cc1ccc(C=C[C@@H](C)O)cc1.
What is the InChIKey of (2R)-4-(4-methylphenyl)but-3-en-2-ol?
The InChIKey is FQBWGGNZOFDJAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8,10,12H,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-4-(4-methylphenyl)but-3-en-2-ol?
(2R)-4-(4-methylphenyl)but-3-en-2-ol has a molecular weight of 162.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methylphenyl)but-3-en-2-ol is sourced from PubChem (CID 131852428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).