1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone

C17H18O3 — CID 107665209

IUPAC1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
SMILESCCc1ccc(Oc2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C17H18O3/c1-4-13-8-9-16(17(10-13)19-3)20-15-7-5-6-14(11-15)12(2)18/h5-11H,4H2,1-3H3
InChIKeyOARSGDNRDJULRN-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.25
Rot. Bonds5

About 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone

1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone (PubChem CID 107665209) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
PubChem CID107665209
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
SMILESCCc1ccc(Oc2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C17H18O3/c1-4-13-8-9-16(17(10-13)19-3)20-15-7-5-6-14(11-15)12(2)18/h5-11H,4H2,1-3H3
InChIKeyOARSGDNRDJULRN-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
1-[3-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 79403294
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
CID 158794651
2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126184010
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone (CID 107665209) is 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone is CCc1ccc(Oc2cccc(C(C)=O)c2)c(OC)c1.
What is the InChIKey of 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone?
The InChIKey is OARSGDNRDJULRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-13-8-9-16(17(10-13)19-3)20-15-7-5-6-14(11-15)12(2)18/h5-11H,4H2,1-3H3.
What are the key properties of 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone?
1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone has a molecular weight of 270.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 107665209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).