1-(2-ethoxy-5-phenoxyphenyl)ethanone

C16H16O3 — CID 82267161

IUPAC1-(2-ethoxy-5-phenoxyphenyl)ethanone
SMILESCCOc1ccc(Oc2ccccc2)cc1C(C)=O
InChIInChI=1S/C16H16O3/c1-3-18-16-10-9-14(11-15(16)12(2)17)19-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyUJPKYIXFWLAXPF-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-ethoxy-5-phenoxyphenyl)ethanone

1-(2-ethoxy-5-phenoxyphenyl)ethanone (PubChem CID 82267161) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2-ethoxy-5-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-5-phenoxyphenyl)ethanone
PubChem CID82267161
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(2-ethoxy-5-phenoxyphenyl)ethanone
SMILESCCOc1ccc(Oc2ccccc2)cc1C(C)=O
InChIInChI=1S/C16H16O3/c1-3-18-16-10-9-14(11-15(16)12(2)17)19-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyUJPKYIXFWLAXPF-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267164
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
4-(2-ethoxy-5-phenoxyphenyl)-4-oxobutanoic acid
CID 82267158
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172
2-ethoxy-5-phenoxybenzenesulfonamide
CID 155234436
N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
CID 82552134
(E)-4-oxo-4-(5-phenoxy-2-propoxyphenyl)but-2-enoic acid
CID 82267193
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone
CID 85281521

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-phenoxyphenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-5-phenoxyphenyl)ethanone (CID 82267161) is 1-(2-ethoxy-5-phenoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-5-phenoxyphenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-5-phenoxyphenyl)ethanone is CCOc1ccc(Oc2ccccc2)cc1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-5-phenoxyphenyl)ethanone?
The InChIKey is UJPKYIXFWLAXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-18-16-10-9-14(11-15(16)12(2)17)19-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-phenoxyphenyl)ethanone?
1-(2-ethoxy-5-phenoxyphenyl)ethanone has a molecular weight of 256.30 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-phenoxyphenyl)ethanone is sourced from PubChem (CID 82267161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).