2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid

C24H22O6 — CID 11732250

IUPAC2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid
SMILESCOc1ccc(OC(=O)CC(c2ccc(OC)cc2)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H22O6/c1-28-17-9-7-16(8-10-17)22(20-5-3-4-6-21(20)24(26)27)15-23(25)30-19-13-11-18(29-2)12-14-19/h3-14,22H,15H2,1-2H3,(H,26,27)
InChIKeyFKBFFKKAJBIMPB-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.53
Rot. Bonds8

About 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid

2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid (PubChem CID 11732250) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid
PubChem CID11732250
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid
SMILESCOc1ccc(OC(=O)CC(c2ccc(OC)cc2)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H22O6/c1-28-17-9-7-16(8-10-17)22(20-5-3-4-6-21(20)24(26)27)15-23(25)30-19-13-11-18(29-2)12-14-19/h3-14,22H,15H2,1-2H3,(H,26,27)
InChIKeyFKBFFKKAJBIMPB-UHFFFAOYSA-N
XLogP4.53
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]benzoic acid
CID 11078900
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
4-chloro-2-[3-methoxy-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid
CID 101065395
2-(2-carboxy-1-phenylethyl)benzoic acid
CID 67733190
1-(2-bromophenyl)-3-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 139262381
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
2-O-(4-methoxyphenyl) 1-O-(4-propan-2-ylphenyl) benzene-1,2-dicarboxylate
CID 6426010
[4-[(3R)-4,4,4-trifluoro-3-[4-(4-methoxyphenyl)phenyl]butanoyl]oxyphenyl] (3R)-4,4,4-trifluoro-3-[4-(4-methoxyphenyl)phenyl]butanoate
CID 101439532
(4-methoxyphenyl) 2-benzhydrylsulfanylacetate
CID 18286545
2-(1-phenylbutyl)benzoic acid
CID 118163861
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid?
The IUPAC name of 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid (CID 11732250) is 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid is COc1ccc(OC(=O)CC(c2ccc(OC)cc2)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid?
The InChIKey is FKBFFKKAJBIMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-28-17-9-7-16(8-10-17)22(20-5-3-4-6-21(20)24(26)27)15-23(25)30-19-13-11-18(29-2)12-14-19/h3-14,22H,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid?
2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid has a molecular weight of 406.43 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-oxopropyl]benzoic acid is sourced from PubChem (CID 11732250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).