3-(3-[(3,4-Dichlorobenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid

HCID 22493965
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Basic information

Standard SMILES
COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Cl)c(Cl)c1
InChIKey
HAOIUVNQCMFYFK-UHFFFAOYSA-N
Molecular formula
C21H24Cl2O5
Average molar mass
427.3 g/mol
Monoisotopic mass
426.1000792

Names & identifiers

Preferred name
3-(3-[(3,4-Dichlorobenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid
IUPAC
3-[3-[(3,4-dichlorophenyl)methoxymethyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid

Names & synonyms

SCHEMBL6494660HAOIUVNQCMFYFK-UHFFFAOYSA-N3-(3-[(3,4-dichlorobenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid

Database identifiers

PubChem CID
22493965

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
28

Related reactions

2 records
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Compound notes

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