2-(4-hydroxyoxolan-3-yl)-1-phenylethanone

C12H14O3 — CID 130502882

IUPAC2-(4-hydroxyoxolan-3-yl)-1-phenylethanone
SMILESO=C(CC1COCC1O)c1ccccc1
InChIInChI=1S/C12H14O3/c13-11(9-4-2-1-3-5-9)6-10-7-15-8-12(10)14/h1-5,10,12,14H,6-8H2
InChIKeyCZHWISLZQCPCMD-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone

2-(4-hydroxyoxolan-3-yl)-1-phenylethanone (PubChem CID 130502882) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-hydroxyoxolan-3-yl)-1-phenylethanone
PubChem CID130502882
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(4-hydroxyoxolan-3-yl)-1-phenylethanone
SMILESO=C(CC1COCC1O)c1ccccc1
InChIInChI=1S/C12H14O3/c13-11(9-4-2-1-3-5-9)6-10-7-15-8-12(10)14/h1-5,10,12,14H,6-8H2
InChIKeyCZHWISLZQCPCMD-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromocyclopropyl)-1-phenylethanone
CID 174508043
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
4-benzyloxolan-3-ol
CID 14785279
2-(oxetan-3-yloxy)-1-phenylethanone
CID 102606995
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone
CID 135029704
2-[(1R,2S)-2-benzoylcyclohexyl]-1-phenylethanone
CID 15890035
2-[(1S,2R)-2-benzoylcyclohexyl]-1-phenylethanone
CID 11289756
2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone
CID 11208975
2-(2-ethynylcyclohexyl)-1-phenylethanone
CID 163207268
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone?
The IUPAC name of 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone (CID 130502882) is 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone is O=C(CC1COCC1O)c1ccccc1.
What is the InChIKey of 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone?
The InChIKey is CZHWISLZQCPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(9-4-2-1-3-5-9)6-10-7-15-8-12(10)14/h1-5,10,12,14H,6-8H2.
What are the key properties of 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone?
2-(4-hydroxyoxolan-3-yl)-1-phenylethanone has a molecular weight of 206.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxolan-3-yl)-1-phenylethanone is sourced from PubChem (CID 130502882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).