1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone

C17H16Cl2O4 — CID 112788064

IUPAC1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-11(20)12-3-5-16(17(9-12)21-2)23-8-7-22-15-6-4-13(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQVSMWQOSMRVGMG-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.66
Rot. Bonds7

About 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone

1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone (PubChem CID 112788064) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
PubChem CID112788064
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Name1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-11(20)12-3-5-16(17(9-12)21-2)23-8-7-22-15-6-4-13(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQVSMWQOSMRVGMG-UHFFFAOYSA-N
XLogP4.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.66
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

4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
1-[4-(2-butoxyethoxy)-3-chlorophenyl]ethanone
CID 55132462
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone (CID 112788064) is 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone?
The InChIKey is QVSMWQOSMRVGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-11(20)12-3-5-16(17(9-12)21-2)23-8-7-22-15-6-4-13(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone?
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone has a molecular weight of 355.22 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 112788064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).