3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one

C24H24O3 — CID 19878476

IUPAC3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one
SMILESCC(C)OC(C(=O)c1ccccc1)(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C24H24O3/c1-18(2)27-24(21-16-10-5-11-17-21,22(25)19-12-6-3-7-13-19)23(26)20-14-8-4-9-15-20/h3-18,22,25H,1-2H3
InChIKeyNEERQWFEZWOSFU-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.92
Rot. Bonds7

About 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one

3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one (PubChem CID 19878476) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one
PubChem CID19878476
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one
SMILESCC(C)OC(C(=O)c1ccccc1)(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C24H24O3/c1-18(2)27-24(21-16-10-5-11-17-21,22(25)19-12-6-3-7-13-19)23(26)20-14-8-4-9-15-20/h3-18,22,25H,1-2H3
InChIKeyNEERQWFEZWOSFU-UHFFFAOYSA-N
XLogP4.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
CID 132538281
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
CID 14433421
2,2-di(butan-2-yloxy)-1,2-diphenylethanone
CID 19035365
2-chloro-1,2,2-triphenylethanone
CID 11301235
(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one
CID 134955659
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
CID 175526561
2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
CID 13184442
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
(2S,3R)-2-methoxy-1,2-diphenyl-3-[4-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 132538275
1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone
CID 175385823
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one?
The IUPAC name of 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one (CID 19878476) is 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one.
What is the SMILES notation for 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one?
The canonical SMILES for 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one is CC(C)OC(C(=O)c1ccccc1)(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one?
The InChIKey is NEERQWFEZWOSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-18(2)27-24(21-16-10-5-11-17-21,22(25)19-12-6-3-7-13-19)23(26)20-14-8-4-9-15-20/h3-18,22,25H,1-2H3.
What are the key properties of 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one?
3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one has a molecular weight of 360.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one is sourced from PubChem (CID 19878476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).