2-(3-propan-2-ylphenyl)propan-2-ol

C12H18O — CID 26939

IUPAC2-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C12H18O/c1-9(2)10-6-5-7-11(8-10)12(3,4)13/h5-9,13H,1-4H3
InChIKeyGCFSLINNKUVOJH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.04
Rot. Bonds2

About 2-(3-propan-2-ylphenyl)propan-2-ol

2-(3-propan-2-ylphenyl)propan-2-ol (PubChem CID 26939) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-propan-2-ylphenyl)propan-2-ol
PubChem CID26939
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C12H18O/c1-9(2)10-6-5-7-11(8-10)12(3,4)13/h5-9,13H,1-4H3
InChIKeyGCFSLINNKUVOJH-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 2-(3-propan-2-ylphenyl)propan-2-ol (CID 26939) is 2-(3-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-propan-2-ylphenyl)propan-2-ol is CC(C)c1cccc(C(C)(C)O)c1.
What is the InChIKey of 2-(3-propan-2-ylphenyl)propan-2-ol?
The InChIKey is GCFSLINNKUVOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)10-6-5-7-11(8-10)12(3,4)13/h5-9,13H,1-4H3.
What are the key properties of 2-(3-propan-2-ylphenyl)propan-2-ol?
2-(3-propan-2-ylphenyl)propan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 26939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).