1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one

C12H16O3 — CID 18728715

IUPAC1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)11(13)12(2,3)14/h5-8,14H,4H2,1-3H3
InChIKeyNVLUOSODTFRYLJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.04
Rot. Bonds4

About 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one

1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 18728715) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
PubChem CID18728715
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)11(13)12(2,3)14/h5-8,14H,4H2,1-3H3
InChIKeyNVLUOSODTFRYLJ-UHFFFAOYSA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
CID 66648781
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
CID 59265217
ethyl-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl]-dimethylazanium
CID 118135437
2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
CID 116747344
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
CID 151465505

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one (CID 18728715) is 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one is CCOc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is NVLUOSODTFRYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)11(13)12(2,3)14/h5-8,14H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one?
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 18728715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).