1-(2-hydroxy-6-propan-2-ylphenyl)ethanone

C11H14O2 — CID 130031479

IUPAC1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1c(O)cccc1C(C)C
InChIInChI=1S/C11H14O2/c1-7(2)9-5-4-6-10(13)11(9)8(3)12/h4-7,13H,1-3H3
InChIKeyHNIHQHUUUYAUDA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.72
Rot. Bonds2

About 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone

1-(2-hydroxy-6-propan-2-ylphenyl)ethanone (PubChem CID 130031479) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
PubChem CID130031479
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1c(O)cccc1C(C)C
InChIInChI=1S/C11H14O2/c1-7(2)9-5-4-6-10(13)11(9)8(3)12/h4-7,13H,1-3H3
InChIKeyHNIHQHUUUYAUDA-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-propan-2-ylphenyl)ethanone
CID 157111113
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
CID 141216683
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
1-(2-hydroxy-6-methylsulfanylphenyl)ethanone
CID 117279279
2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one
CID 176753499
2,6-di(propan-2-yl)-N-trimethylsilylbenzamide
CID 22743375
2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-fluoro-3-propan-2-ylphenol
CID 71302551
2-bromo-3-propan-2-ylphenol
CID 23114133
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone (CID 130031479) is 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone is CC(=O)c1c(O)cccc1C(C)C.
What is the InChIKey of 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone?
The InChIKey is HNIHQHUUUYAUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)9-5-4-6-10(13)11(9)8(3)12/h4-7,13H,1-3H3.
What are the key properties of 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone?
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 130031479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).