2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one

C22H28O6 — CID 90092001

IUPAC2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(OCCO)cc1.CC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C12H16O4.C10H12O2/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13;1-10(2,12)9(11)8-6-4-3-5-7-8/h3-6,13,15H,7-8H2,1-2H3;3-7,12H,1-2H3
InChIKeyZGSHKRQEXJPETF-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.65
Rot. Bonds7

About 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one

2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one (PubChem CID 90092001) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
PubChem CID90092001
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(OCCO)cc1.CC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C12H16O4.C10H12O2/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13;1-10(2,12)9(11)8-6-4-3-5-7-8/h3-6,13,15H,7-8H2,1-2H3;3-7,12H,1-2H3
InChIKeyZGSHKRQEXJPETF-UHFFFAOYSA-N
XLogP2.65
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
2-(1,3-dioxoisoindol-2-yl)acetic acid;2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 159573784
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoate;methane;4-(3-oxo-3-phenylprop-1-enyl)benzoic acid
CID 157295694
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-bromoacetyl bromide;2-[4-(2,2-dimethylpropanoyl)phenoxy]ethyl benzoate;2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 2-bromoacetate;toluene
CID 158587495
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one
CID 169026151
[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-oxopropan-2-yl] 3-oxobutanoate;2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-oxobutanoate
CID 158225872

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one (CID 90092001) is 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one is CC(C)(O)C(=O)c1ccc(OCCO)cc1.CC(C)(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is ZGSHKRQEXJPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4.C10H12O2/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13;1-10(2,12)9(11)8-6-4-3-5-7-8/h3-6,13,15H,7-8H2,1-2H3;3-7,12H,1-2H3.
What are the key properties of 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one?
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 388.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 90092001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).