1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone

C13H16O3 — CID 105475556

IUPAC1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1CC1(O)CCOC1
InChIInChI=1S/C13H16O3/c1-10(14)12-5-3-2-4-11(12)8-13(15)6-7-16-9-13/h2-5,15H,6-9H2,1H3
InChIKeyOJRJVZDFOXIQLQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.58
Rot. Bonds3

About 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone

1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone (PubChem CID 105475556) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone
PubChem CID105475556
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1CC1(O)CCOC1
InChIInChI=1S/C13H16O3/c1-10(14)12-5-3-2-4-11(12)8-13(15)6-7-16-9-13/h2-5,15H,6-9H2,1H3
InChIKeyOJRJVZDFOXIQLQ-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyloxolan-3-ol
CID 63332039
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
CID 65145520
2-[(3-hydroxyoxan-3-yl)methyl]benzaldehyde
CID 105475550
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
1-[2-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105477596
2-[(2-methyloxolan-2-yl)methyl]benzamide
CID 162688650
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
CID 114952943
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
3-[2-[(4-hydroxyoxan-4-yl)methylcarbamoyl]phenyl]propanoic acid
CID 146133270

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone (CID 105475556) is 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone is CC(=O)c1ccccc1CC1(O)CCOC1.
What is the InChIKey of 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone?
The InChIKey is OJRJVZDFOXIQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)12-5-3-2-4-11(12)8-13(15)6-7-16-9-13/h2-5,15H,6-9H2,1H3.
What are the key properties of 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone?
1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 105475556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).