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

C11H12O — CID 51720513

IUPAC(2R)-2-(4-methylphenyl)but-3-yn-2-ol
SMILESC#C[C@@](C)(O)c1ccc(C)cc1
InChIInChI=1S/C11H12O/c1-4-11(3,12)10-7-5-9(2)6-8-10/h1,5-8,12H,2-3H3/t11-/m1/s1
InChIKeyLVFAZESDNYAJTH-LLVKDONJSA-N
MW160.22 g/mol
LogP1.84
Rot. Bonds1

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

(2R)-2-(4-methylphenyl)but-3-yn-2-ol (PubChem CID 51720513) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)but-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)but-3-yn-2-ol
PubChem CID51720513
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(2R)-2-(4-methylphenyl)but-3-yn-2-ol
SMILESC#C[C@@](C)(O)c1ccc(C)cc1
InChIInChI=1S/C11H12O/c1-4-11(3,12)10-7-5-9(2)6-8-10/h1,5-8,12H,2-3H3/t11-/m1/s1
InChIKeyLVFAZESDNYAJTH-LLVKDONJSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)but-3-yn-2-ol
CID 64915958
1-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-yn-1-ol
CID 90194909
3-methylpent-1-yn-3-ol;2-phenylbut-3-yn-2-ol
CID 158116279
1-tert-butyl-4-methylbenzene
CID 163486601
methyl 4-hydroxy-4-(4-methylphenyl)pent-2-ynoate
CID 139257501
1-[(1R)-1-hydroxy-1-(4-methylphenyl)prop-2-ynyl]cyclopropane-1-carbonitrile
CID 125472369
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
2-(3-chlorophenyl)but-3-yn-2-ol
CID 64915364
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)but-3-yn-2-ol?
The IUPAC name of (2R)-2-(4-methylphenyl)but-3-yn-2-ol (CID 51720513) is (2R)-2-(4-methylphenyl)but-3-yn-2-ol.
What is the SMILES notation for (2R)-2-(4-methylphenyl)but-3-yn-2-ol?
The canonical SMILES for (2R)-2-(4-methylphenyl)but-3-yn-2-ol is C#C[C@@](C)(O)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)but-3-yn-2-ol?
The InChIKey is LVFAZESDNYAJTH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12O/c1-4-11(3,12)10-7-5-9(2)6-8-10/h1,5-8,12H,2-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)but-3-yn-2-ol?
(2R)-2-(4-methylphenyl)but-3-yn-2-ol has a molecular weight of 160.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)but-3-yn-2-ol is sourced from PubChem (CID 51720513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).