2-Isopropoxy-3-(4-methoxy-3-[(4-phenoxybenzyl)oxy]methylphenyl)propanoic acid

HCID 22494041
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Basic information

Standard SMILES
COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Oc2ccccc2)cc1
InChIKey
LXRGLEXJJVWNMD-UHFFFAOYSA-N
Molecular formula
C27H30O6
Average molar mass
450.5 g/mol

Names & identifiers

Preferred name
2-Isopropoxy-3-(4-methoxy-3-[(4-phenoxybenzyl)oxy]methylphenyl)propanoic acid
IUPAC
3-[4-methoxy-3-[(4-phenoxyphenyl)methoxymethyl]phenyl]-2-propan-2-yloxypropanoic acid

Names & synonyms

SCHEMBL6505336LXRGLEXJJVWNMD-UHFFFAOYSA-N2-isopropoxy-3-(4-methoxy-3-[(4-phenoxybenzyl)oxy]methylphenyl)propanoic acid

Database identifiers

PubChem CID
22494041

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
74.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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