3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid

C17H16Cl2O4 — CID 22052399

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid
SMILESCCOc1ccc(C(=O)O)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-2-22-15-6-4-12(17(20)21)9-16(15)23-8-7-11-3-5-13(18)10-14(11)19/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)
InChIKeyDJRAPHIFUIFIEB-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.71
Rot. Bonds7

About 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid

3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid (PubChem CID 22052399) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid
PubChem CID22052399
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid
SMILESCCOc1ccc(C(=O)O)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-2-22-15-6-4-12(17(20)21)9-16(15)23-8-7-11-3-5-13(18)10-14(11)19/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)
InChIKeyDJRAPHIFUIFIEB-UHFFFAOYSA-N
XLogP4.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid
CID 22052375
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 43379751
3-(2-aminoethyl)-4-ethoxybenzoic acid
CID 82052276
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
3-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzoic acid
CID 20991840
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
3,4-di(tridecoxy)benzoic acid
CID 66940296
[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 23396229
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid (CID 22052399) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid is CCOc1ccc(C(=O)O)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid?
The InChIKey is DJRAPHIFUIFIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-2-22-15-6-4-12(17(20)21)9-16(15)23-8-7-11-3-5-13(18)10-14(11)19/h3-6,9-10H,2,7-8H2,1H3,(H,20,21).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid?
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid has a molecular weight of 355.22 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid is sourced from PubChem (CID 22052399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).