2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one

C20H22O5 — CID 174547295

IUPAC2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccccc1Oc1ccccc1C(=O)C(C)(C)O
InChIInChI=1S/C20H22O5/c1-19(2,23)17(21)13-9-5-7-11-15(13)25-16-12-8-6-10-14(16)18(22)20(3,4)24/h5-12,23-24H,1-4H3
InChIKeyHTAVJCMUEBJSLF-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.39
Rot. Bonds6

About 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one

2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one (PubChem CID 174547295) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
PubChem CID174547295
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccccc1Oc1ccccc1C(=O)C(C)(C)O
InChIInChI=1S/C20H22O5/c1-19(2,23)17(21)13-9-5-7-11-15(13)25-16-12-8-6-10-14(16)18(22)20(3,4)24/h5-12,23-24H,1-4H3
InChIKeyHTAVJCMUEBJSLF-UHFFFAOYSA-N
XLogP3.39
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one
CID 54210618
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
CID 103446686
[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate
CID 146010575
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione
CID 101235095
1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 175493914
2-(4-tert-butylphenoxy)benzoate
CID 22015143
CID 175241707
CID 175241707

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one (CID 174547295) is 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccccc1Oc1ccccc1C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one?
The InChIKey is HTAVJCMUEBJSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-19(2,23)17(21)13-9-5-7-11-15(13)25-16-12-8-6-10-14(16)18(22)20(3,4)24/h5-12,23-24H,1-4H3.
What are the key properties of 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one?
2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one has a molecular weight of 342.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 174547295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).