1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone

C19H22O4 — CID 2284019

IUPAC1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
SMILESCCOc1ccc(OCCCOc2ccccc2C(C)=O)cc1
InChIInChI=1S/C19H22O4/c1-3-21-16-9-11-17(12-10-16)22-13-6-14-23-19-8-5-4-7-18(19)15(2)20/h4-5,7-12H,3,6,13-14H2,1-2H3
InChIKeyXTEWRZVDROZHLC-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.14
Rot. Bonds9

About 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone

1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone (PubChem CID 2284019) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
PubChem CID2284019
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
SMILESCCOc1ccc(OCCCOc2ccccc2C(C)=O)cc1
InChIInChI=1S/C19H22O4/c1-3-21-16-9-11-17(12-10-16)22-13-6-14-23-19-8-5-4-7-18(19)15(2)20/h4-5,7-12H,3,6,13-14H2,1-2H3
InChIKeyXTEWRZVDROZHLC-UHFFFAOYSA-N
XLogP4.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
CID 62400880

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone (CID 2284019) is 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone is CCOc1ccc(OCCCOc2ccccc2C(C)=O)cc1.
What is the InChIKey of 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone?
The InChIKey is XTEWRZVDROZHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-21-16-9-11-17(12-10-16)22-13-6-14-23-19-8-5-4-7-18(19)15(2)20/h4-5,7-12H,3,6,13-14H2,1-2H3.
What are the key properties of 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone?
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone has a molecular weight of 314.38 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone is sourced from PubChem (CID 2284019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).