(4-ethoxyphenyl)-(oxolan-3-yl)methanone

C13H16O3 — CID 61272590

IUPAC(4-ethoxyphenyl)-(oxolan-3-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCOC2)cc1
InChIInChI=1S/C13H16O3/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-6,11H,2,7-9H2,1H3
InChIKeyLIJOXFLMROVMLY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.30
Rot. Bonds4

About (4-ethoxyphenyl)-(oxolan-3-yl)methanone

(4-ethoxyphenyl)-(oxolan-3-yl)methanone (PubChem CID 61272590) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(oxolan-3-yl)methanone
PubChem CID61272590
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(4-ethoxyphenyl)-(oxolan-3-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCOC2)cc1
InChIInChI=1S/C13H16O3/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-6,11H,2,7-9H2,1H3
InChIKeyLIJOXFLMROVMLY-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
CID 65407752
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-ethoxyphenyl)methanone
CID 171946941
(4-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171946940
(4-ethoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171946948
(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone
CID 130594889
(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
CID 81330105
(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone
CID 114215551
(2-bromo-4,5-diethoxyphenyl)-(oxolan-3-yl)methanone
CID 61273178
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 116525791
(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587685

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(oxolan-3-yl)methanone (CID 61272590) is (4-ethoxyphenyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(oxolan-3-yl)methanone is CCOc1ccc(C(=O)C2CCOC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(oxolan-3-yl)methanone?
The InChIKey is LIJOXFLMROVMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-6,11H,2,7-9H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(oxolan-3-yl)methanone?
(4-ethoxyphenyl)-(oxolan-3-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 61272590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).