2-propan-2-ylphenol

C9H12O — CID 6943

IUPAC2-propan-2-ylphenol
SMILESCC(C)c1ccccc1O
InChIInChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChIKeyCRBJBYGJVIBWIY-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.52
Rot. Bonds1

About 2-propan-2-ylphenol

2-propan-2-ylphenol (PubChem CID 6943) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-propan-2-ylphenol.

Molecular Properties

Compound Name2-propan-2-ylphenol
PubChem CID6943
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-propan-2-ylphenol
SMILESCC(C)c1ccccc1O
InChIInChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChIKeyCRBJBYGJVIBWIY-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylphenol?
The IUPAC name of 2-propan-2-ylphenol (CID 6943) is 2-propan-2-ylphenol.
What is the SMILES notation for 2-propan-2-ylphenol?
The canonical SMILES for 2-propan-2-ylphenol is CC(C)c1ccccc1O.
What is the InChIKey of 2-propan-2-ylphenol?
The InChIKey is CRBJBYGJVIBWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3.
What are the key properties of 2-propan-2-ylphenol?
2-propan-2-ylphenol has a molecular weight of 136.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylphenol is sourced from PubChem (CID 6943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).