2-(2-propan-2-ylphenyl)ethanol

C11H16O — CID 2759502

IUPAC2-(2-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccccc1CCO
InChIInChI=1S/C11H16O/c1-9(2)11-6-4-3-5-10(11)7-8-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCEDISSHWOIDDJR-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-propan-2-ylphenyl)ethanol

2-(2-propan-2-ylphenyl)ethanol (PubChem CID 2759502) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)ethanol
PubChem CID2759502
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-(2-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccccc1CCO
InChIInChI=1S/C11H16O/c1-9(2)11-6-4-3-5-10(11)7-8-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCEDISSHWOIDDJR-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(2-propan-2-ylphenyl)ethanol (CID 2759502) is 2-(2-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2-propan-2-ylphenyl)ethanol is CC(C)c1ccccc1CCO.
What is the InChIKey of 2-(2-propan-2-ylphenyl)ethanol?
The InChIKey is CEDISSHWOIDDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9(2)11-6-4-3-5-10(11)7-8-12/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylphenyl)ethanol?
2-(2-propan-2-ylphenyl)ethanol has a molecular weight of 164.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 2759502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).