3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid

C20H24O4 — CID 71000529

IUPAC3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid
SMILESCc1ccc(COc2cccc(CC(OC(C)C)C(=O)O)c2)cc1
InChIInChI=1S/C20H24O4/c1-14(2)24-19(20(21)22)12-17-5-4-6-18(11-17)23-13-16-9-7-15(3)8-10-16/h4-11,14,19H,12-13H2,1-3H3,(H,21,22)
InChIKeyIUVVGOAEHNJUBQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.99
Rot. Bonds8

About 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid

3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid (PubChem CID 71000529) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid
PubChem CID71000529
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid
SMILESCc1ccc(COc2cccc(CC(OC(C)C)C(=O)O)c2)cc1
InChIInChI=1S/C20H24O4/c1-14(2)24-19(20(21)22)12-17-5-4-6-18(11-17)23-13-16-9-7-15(3)8-10-16/h4-11,14,19H,12-13H2,1-3H3,(H,21,22)
InChIKeyIUVVGOAEHNJUBQ-UHFFFAOYSA-N
XLogP3.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic 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

3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 71000571
3-[3-[3-(2,5-dimethylphenoxy)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 22926697
(2R)-3-(3,4-dimethylphenyl)-2-propan-2-yloxypropanoic acid
CID 100528815
3-[3-[3-(3,4-dichlorophenoxy)-2-fluoropropoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 69005913
3-[3-[3-(2,4-dichlorophenyl)-2-oxopropoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 91344985
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid
CID 175254611
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid?
The IUPAC name of 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid (CID 71000529) is 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid.
What is the SMILES notation for 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid?
The canonical SMILES for 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid is Cc1ccc(COc2cccc(CC(OC(C)C)C(=O)O)c2)cc1.
What is the InChIKey of 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid?
The InChIKey is IUVVGOAEHNJUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-14(2)24-19(20(21)22)12-17-5-4-6-18(11-17)23-13-16-9-7-15(3)8-10-16/h4-11,14,19H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid?
3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid has a molecular weight of 328.41 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid is sourced from PubChem (CID 71000529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).