3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one

C16H16O3 — CID 150106671

IUPAC3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(CO)(CO)c1ccccc1
InChIInChI=1S/C16H16O3/c17-11-16(12-18,14-9-5-2-6-10-14)15(19)13-7-3-1-4-8-13/h1-10,17-18H,11-12H2
InChIKeyDWJQZAOMWBADRB-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.79
Rot. Bonds5

About 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one

3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one (PubChem CID 150106671) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
PubChem CID150106671
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(CO)(CO)c1ccccc1
InChIInChI=1S/C16H16O3/c17-11-16(12-18,14-9-5-2-6-10-14)15(19)13-7-3-1-4-8-13/h1-10,17-18H,11-12H2
InChIKeyDWJQZAOMWBADRB-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2-chloro-1,2,2-triphenylethanone
CID 11301235
4-hydroxy-2-methyl-1,2-diphenylbutan-1-one
CID 172768651
benzenesulfonic acid;2,3-dihydroxy-1,2-diphenylpropan-1-one
CID 174475774
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
CID 63409962
2-(hydroxymethyl)-4-methylsulfanyl-2-phenylbutanoic acid
CID 19431604
(2S)-3-bromo-2-methyl-1,2-diphenylpropan-1-one
CID 139043134
CID 57211596
CID 57211596
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
benzoic acid;bis(propane-1,2,3-triol)
CID 68987923

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one (CID 150106671) is 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one is O=C(c1ccccc1)C(CO)(CO)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one?
The InChIKey is DWJQZAOMWBADRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-11-16(12-18,14-9-5-2-6-10-14)15(19)13-7-3-1-4-8-13/h1-10,17-18H,11-12H2.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one?
3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one has a molecular weight of 256.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one is sourced from PubChem (CID 150106671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).