(2,4-dihydroxyoxolan-3-yl)-phenylmethanone

C11H12O4 — CID 174518097

IUPAC(2,4-dihydroxyoxolan-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(O)COC1O
InChIInChI=1S/C11H12O4/c12-8-6-15-11(14)9(8)10(13)7-4-2-1-3-5-7/h1-5,8-9,11-12,14H,6H2
InChIKeyWUOIHQOUHIIZIQ-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.19
Rot. Bonds2

About (2,4-dihydroxyoxolan-3-yl)-phenylmethanone

(2,4-dihydroxyoxolan-3-yl)-phenylmethanone (PubChem CID 174518097) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2,4-dihydroxyoxolan-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-dihydroxyoxolan-3-yl)-phenylmethanone
PubChem CID174518097
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(2,4-dihydroxyoxolan-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(O)COC1O
InChIInChI=1S/C11H12O4/c12-8-6-15-11(14)9(8)10(13)7-4-2-1-3-5-7/h1-5,8-9,11-12,14H,6H2
InChIKeyWUOIHQOUHIIZIQ-UHFFFAOYSA-N
XLogP0.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxiran-2-yl(phenyl)methanone
CID 11788375
[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
[(2R,4R,5S)-3-benzoyloxy-2-hydroxy-5-methyloxan-4-yl] benzoate
CID 58572330
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
2-methyl-2-(oxiran-2-ylmethyl)-1,3-diphenylpropane-1,3-dione
CID 150172119
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
[(3S,4S,5R,6R)-4,5-dibenzoyloxy-6-hydroxyoxan-3-yl] benzoate
CID 141162171
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
oxiran-2-yl-(4-phenoxyphenyl)methanone
CID 116826428
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
[(3R,4S)-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
CID 134427493

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyoxolan-3-yl)-phenylmethanone?
The IUPAC name of (2,4-dihydroxyoxolan-3-yl)-phenylmethanone (CID 174518097) is (2,4-dihydroxyoxolan-3-yl)-phenylmethanone.
What is the SMILES notation for (2,4-dihydroxyoxolan-3-yl)-phenylmethanone?
The canonical SMILES for (2,4-dihydroxyoxolan-3-yl)-phenylmethanone is O=C(c1ccccc1)C1C(O)COC1O.
What is the InChIKey of (2,4-dihydroxyoxolan-3-yl)-phenylmethanone?
The InChIKey is WUOIHQOUHIIZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-8-6-15-11(14)9(8)10(13)7-4-2-1-3-5-7/h1-5,8-9,11-12,14H,6H2.
What are the key properties of (2,4-dihydroxyoxolan-3-yl)-phenylmethanone?
(2,4-dihydroxyoxolan-3-yl)-phenylmethanone has a molecular weight of 208.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyoxolan-3-yl)-phenylmethanone is sourced from PubChem (CID 174518097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).