2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid

C20H24O4 — CID 83951802

IUPAC2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(OC(C)C)cc2)C(=O)O)cc1C
InChIInChI=1S/C20H24O4/c1-13(2)24-17-8-5-15(6-9-17)12-18(20(21)22)16-7-10-19(23-4)14(3)11-16/h5-11,13,18H,12H2,1-4H3,(H,21,22)
InChIKeyHDBADYPNDXTFAP-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.20
Rot. Bonds7

About 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid

2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 83951802) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID83951802
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(OC(C)C)cc2)C(=O)O)cc1C
InChIInChI=1S/C20H24O4/c1-13(2)24-17-8-5-15(6-9-17)12-18(20(21)22)16-7-10-19(23-4)14(3)11-16/h5-11,13,18H,12H2,1-4H3,(H,21,22)
InChIKeyHDBADYPNDXTFAP-UHFFFAOYSA-N
XLogP4.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952179
4-[2-carboxy-2-(4-methoxy-3-methylphenyl)ethyl]benzoic acid
CID 83955750
2-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82095274
3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 83955360
2-(4-methoxy-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 83953350
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
2-(3,4-dimethylphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 82160556
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
3-(4-ethoxyphenyl)-2-(3-methyl-4-propoxyphenyl)propanoic acid
CID 83950412
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
CID 83952018
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 83951802) is 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid is COc1ccc(C(Cc2ccc(OC(C)C)cc2)C(=O)O)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is HDBADYPNDXTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-13(2)24-17-8-5-15(6-9-17)12-18(20(21)22)16-7-10-19(23-4)14(3)11-16/h5-11,13,18H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 83951802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).