3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one

C21H24O4 — CID 68791945

IUPAC3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(CO)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C21H24O4/c1-14(13-22)19(23)17-8-4-15(5-9-17)12-16-6-10-18(11-7-16)20(24)21(2,3)25/h4-11,14,22,25H,12-13H2,1-3H3
InChIKeyICEOYVOHXINZPU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.04
Rot. Bonds7

About 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one

3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one (PubChem CID 68791945) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
PubChem CID68791945
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(CO)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C21H24O4/c1-14(13-22)19(23)17-8-4-15(5-9-17)12-16-6-10-18(11-7-16)20(24)21(2,3)25/h4-11,14,22,25H,12-13H2,1-3H3
InChIKeyICEOYVOHXINZPU-UHFFFAOYSA-N
XLogP3.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one
CID 164767991
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 57105990
2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;bis(3-phenylprop-2-enoic acid)
CID 175840698
2-hydroxy-1-[4-[(2-hydroxypropylamino)methyl]phenyl]-2-methylpropan-1-one
CID 68742963
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
CID 66718665
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl acetate
CID 68741075
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-hydroxy-1-[4-[1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]propyl]phenyl]-2-methylpropan-1-one
CID 173118235
2-hydroxy-1-[4-[hydroxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;propane
CID 142964351
2-hydroxy-1-[4-[6-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]hexoxymethyl]phenyl]-2-methylpropan-1-one
CID 91446599

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one (CID 68791945) is 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one is CC(CO)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1.
What is the InChIKey of 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
The InChIKey is ICEOYVOHXINZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-14(13-22)19(23)17-8-4-15(5-9-17)12-16-6-10-18(11-7-16)20(24)21(2,3)25/h4-11,14,22,25H,12-13H2,1-3H3.
What are the key properties of 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one has a molecular weight of 340.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 68791945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).