3-(3-[(4-Chloro-2-methoxybenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid

HCID 22494060
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Basic information

Standard SMILES
COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Cl)cc1OC
InChIKey
RNSPLKWLZOJDIL-UHFFFAOYSA-N
Molecular formula
C22H27ClO6
Average molar mass
422.9 g/mol
Monoisotopic mass
422.1496163

Names & identifiers

Preferred name
3-(3-[(4-Chloro-2-methoxybenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid
IUPAC
3-[3-[(4-chloro-2-methoxyphenyl)methoxymethyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid

Names & synonyms

SCHEMBL6507864RNSPLKWLZOJDIL-UHFFFAOYSA-N3-(3-[(4-chloro-2-methoxybenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid

Database identifiers

PubChem CID
22494060

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
74.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
29

Related reactions

2 records
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Compound notes

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