1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone

C17H17ClO3 — CID 43413945

IUPAC1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClO3/c1-20-10-9-13-5-7-16(8-6-13)21-12-17(19)14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyYGQKHAUKKMKCDJ-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.79
Rot. Bonds7

About 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone

1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone (PubChem CID 43413945) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
PubChem CID43413945
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClO3/c1-20-10-9-13-5-7-16(8-6-13)21-12-17(19)14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyYGQKHAUKKMKCDJ-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43220131
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
N-(5-chloro-2-methylphenyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 8833683
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one
CID 123713366
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone
CID 122457160
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413943
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone (CID 43413945) is 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone is COCCc1ccc(OCC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The InChIKey is YGQKHAUKKMKCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-10-9-13-5-7-16(8-6-13)21-12-17(19)14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone has a molecular weight of 304.77 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone is sourced from PubChem (CID 43413945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).