2,6-di(propan-2-yl)phenol

C12H18O — CID 4943

💊View drug profile → propofol
IUPAC2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cccc(C(C)C)c1O
InChIInChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKeyOLBCVFGFOZPWHH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.64
Rot. Bonds2

About 2,6-di(propan-2-yl)phenol

2,6-di(propan-2-yl)phenol (PubChem CID 4943) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)phenol
PubChem CID4943
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cccc(C(C)C)c1O
InChIInChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKeyOLBCVFGFOZPWHH-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
Thymol
CID 6989
O-Cresol
CID 335
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)phenol?
The IUPAC name of 2,6-di(propan-2-yl)phenol (CID 4943) is 2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 2,6-di(propan-2-yl)phenol?
The canonical SMILES for 2,6-di(propan-2-yl)phenol is CC(C)c1cccc(C(C)C)c1O.
What is the InChIKey of 2,6-di(propan-2-yl)phenol?
The InChIKey is OLBCVFGFOZPWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)phenol?
2,6-di(propan-2-yl)phenol has a molecular weight of 178.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 4943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).