1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone

C14H18O3 — CID 103986239

IUPAC1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
SMILESCCOc1ccc(C(=O)CC2CCOC2)cc1
InChIInChI=1S/C14H18O3/c1-2-17-13-5-3-12(4-6-13)14(15)9-11-7-8-16-10-11/h3-6,11H,2,7-10H2,1H3
InChIKeyQKCIKJCCXHERFN-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone

1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone (PubChem CID 103986239) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
PubChem CID103986239
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
SMILESCCOc1ccc(C(=O)CC2CCOC2)cc1
InChIInChI=1S/C14H18O3/c1-2-17-13-5-3-12(4-6-13)14(15)9-11-7-8-16-10-11/h3-6,11H,2,7-10H2,1H3
InChIKeyQKCIKJCCXHERFN-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454
1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone
CID 102606997
1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425688
2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 114969179
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977
2-(oxolan-3-yl)-1-quinolin-6-ylethanone
CID 103986220
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
CID 99814284
1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone
CID 3102086
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
CID 103986180

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone (CID 103986239) is 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone is CCOc1ccc(C(=O)CC2CCOC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone?
The InChIKey is QKCIKJCCXHERFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-17-13-5-3-12(4-6-13)14(15)9-11-7-8-16-10-11/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone?
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 103986239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).