2-methyl-1-phenylbut-3-yn-2-ol

C11H12O — CID 5023210

IUPAC2-methyl-1-phenylbut-3-yn-2-ol
SMILESC#CC(C)(O)Cc1ccccc1
InChIInChI=1S/C11H12O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h1,4-8,12H,9H2,2H3
InChIKeyMAIHLXPPVKYYMW-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-1-phenylbut-3-yn-2-ol

2-methyl-1-phenylbut-3-yn-2-ol (PubChem CID 5023210) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methyl-1-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-1-phenylbut-3-yn-2-ol
PubChem CID5023210
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-methyl-1-phenylbut-3-yn-2-ol
SMILESC#CC(C)(O)Cc1ccccc1
InChIInChI=1S/C11H12O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h1,4-8,12H,9H2,2H3
InChIKeyMAIHLXPPVKYYMW-UHFFFAOYSA-N
XLogP1.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylbut-3-yn-2-ol?
The IUPAC name of 2-methyl-1-phenylbut-3-yn-2-ol (CID 5023210) is 2-methyl-1-phenylbut-3-yn-2-ol.
What is the SMILES notation for 2-methyl-1-phenylbut-3-yn-2-ol?
The canonical SMILES for 2-methyl-1-phenylbut-3-yn-2-ol is C#CC(C)(O)Cc1ccccc1.
What is the InChIKey of 2-methyl-1-phenylbut-3-yn-2-ol?
The InChIKey is MAIHLXPPVKYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h1,4-8,12H,9H2,2H3.
What are the key properties of 2-methyl-1-phenylbut-3-yn-2-ol?
2-methyl-1-phenylbut-3-yn-2-ol has a molecular weight of 160.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylbut-3-yn-2-ol is sourced from PubChem (CID 5023210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).