1-(4-ethynyl-2-methylphenyl)ethanol

C11H12O — CID 88896160

IUPAC1-(4-ethynyl-2-methylphenyl)ethanol
SMILESC#Cc1ccc(C(C)O)c(C)c1
InChIInChI=1S/C11H12O/c1-4-10-5-6-11(9(3)12)8(2)7-10/h1,5-7,9,12H,2-3H3
InChIKeyNJKSHTVAWBFCII-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.03
Rot. Bonds1

About 1-(4-ethynyl-2-methylphenyl)ethanol

1-(4-ethynyl-2-methylphenyl)ethanol (PubChem CID 88896160) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(4-ethynyl-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-ethynyl-2-methylphenyl)ethanol
PubChem CID88896160
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1-(4-ethynyl-2-methylphenyl)ethanol
SMILESC#Cc1ccc(C(C)O)c(C)c1
InChIInChI=1S/C11H12O/c1-4-10-5-6-11(9(3)12)8(2)7-10/h1,5-7,9,12H,2-3H3
InChIKeyNJKSHTVAWBFCII-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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 1-(4-ethynyl-2-methylphenyl)ethanol?
The IUPAC name of 1-(4-ethynyl-2-methylphenyl)ethanol (CID 88896160) is 1-(4-ethynyl-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-ethynyl-2-methylphenyl)ethanol?
The canonical SMILES for 1-(4-ethynyl-2-methylphenyl)ethanol is C#Cc1ccc(C(C)O)c(C)c1.
What is the InChIKey of 1-(4-ethynyl-2-methylphenyl)ethanol?
The InChIKey is NJKSHTVAWBFCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-4-10-5-6-11(9(3)12)8(2)7-10/h1,5-7,9,12H,2-3H3.
What are the key properties of 1-(4-ethynyl-2-methylphenyl)ethanol?
1-(4-ethynyl-2-methylphenyl)ethanol has a molecular weight of 160.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethynyl-2-methylphenyl)ethanol is sourced from PubChem (CID 88896160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).