1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone

C15H20O4 — CID 43798299

IUPAC1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
SMILESCCOc1ccc(C(=O)COCC2CCCO2)cc1
InChIInChI=1S/C15H20O4/c1-2-18-13-7-5-12(6-8-13)15(16)11-17-10-14-4-3-9-19-14/h5-8,14H,2-4,9-11H2,1H3
InChIKeyXGXYFGARPXHUIU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.46
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone

1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone (PubChem CID 43798299) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
PubChem CID43798299
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
SMILESCCOc1ccc(C(=O)COCC2CCCO2)cc1
InChIInChI=1S/C15H20O4/c1-2-18-13-7-5-12(6-8-13)15(16)11-17-10-14-4-3-9-19-14/h5-8,14H,2-4,9-11H2,1H3
InChIKeyXGXYFGARPXHUIU-UHFFFAOYSA-N
XLogP2.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
4-[2-(oxan-2-ylmethoxy)acetyl]benzonitrile
CID 43798900
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719612
4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
CID 43532303
1-(4-nitrophenyl)-2-(oxan-2-ylmethoxy)ethanone
CID 43798938
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone (CID 43798299) is 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone is CCOc1ccc(C(=O)COCC2CCCO2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone?
The InChIKey is XGXYFGARPXHUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-18-13-7-5-12(6-8-13)15(16)11-17-10-14-4-3-9-19-14/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone?
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone has a molecular weight of 264.32 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone is sourced from PubChem (CID 43798299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).