1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone

C17H17ClO3 — CID 60627754

IUPAC1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-3-20-17-9-4-13(12(2)19)10-14(17)11-21-16-7-5-15(18)6-8-16/h4-10H,3,11H2,1-2H3
InChIKeyDGVSOUZREWQLLZ-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.52
Rot. Bonds6

About 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone

1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone (PubChem CID 60627754) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
PubChem CID60627754
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-3-20-17-9-4-13(12(2)19)10-14(17)11-21-16-7-5-15(18)6-8-16/h4-10H,3,11H2,1-2H3
InChIKeyDGVSOUZREWQLLZ-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878744
(5-acetyl-2-ethoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678567
1-[3-[(2-chloro-4-nitrophenoxy)methyl]-4-ethoxyphenyl]ethanone
CID 35796656
(5-acetyl-2-ethoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9141014
1-[3-(2,2-difluoroethoxymethyl)-4-ethoxyphenyl]ethanone
CID 82005623
(5-acetyl-2-ethoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629792
1-[4-ethoxy-3-(3-methylbutoxymethyl)phenyl]ethanone
CID 60861705
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
1-[3-amino-4-[2-(4-chlorophenoxy)ethoxy]phenyl]ethanone
CID 93212295
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 29191315
1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone
CID 60862201

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone (CID 60627754) is 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone is CCOc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone?
The InChIKey is DGVSOUZREWQLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-3-20-17-9-4-13(12(2)19)10-14(17)11-21-16-7-5-15(18)6-8-16/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone?
1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone has a molecular weight of 304.77 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone is sourced from PubChem (CID 60627754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).