2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol

C11H16O2 — CID 117278445

IUPAC2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol
SMILESCc1cc(C)c(C(C)(C)O)c(O)c1
InChIInChI=1S/C11H16O2/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6,12-13H,1-4H3
InChIKeyTWADLPVYCSEGDD-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.24
Rot. Bonds1

About 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol

2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol (PubChem CID 117278445) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol
PubChem CID117278445
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol
SMILESCc1cc(C)c(C(C)(C)O)c(O)c1
InChIInChI=1S/C11H16O2/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6,12-13H,1-4H3
InChIKeyTWADLPVYCSEGDD-UHFFFAOYSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol (CID 117278445) is 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol is Cc1cc(C)c(C(C)(C)O)c(O)c1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol?
The InChIKey is TWADLPVYCSEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6,12-13H,1-4H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol?
2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol is sourced from PubChem (CID 117278445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).