1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one

C11H14O2 — CID 11586385

IUPAC1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccccc1O
InChIInChI=1S/C11H14O2/c1-11(2,3)10(13)8-6-4-5-7-9(8)12/h4-7,12H,1-3H3
InChIKeyDATBOQDYGBLGAR-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.62
Rot. Bonds1

About 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one

1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one (PubChem CID 11586385) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
PubChem CID11586385
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccccc1O
InChIInChI=1S/C11H14O2/c1-11(2,3)10(13)8-6-4-5-7-9(8)12/h4-7,12H,1-3H3
InChIKeyDATBOQDYGBLGAR-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one (CID 11586385) is 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is DATBOQDYGBLGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2,3)10(13)8-6-4-5-7-9(8)12/h4-7,12H,1-3H3.
What are the key properties of 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 11586385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).