3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid

C24H24O4 — CID 22683722

IUPAC3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C24H24O4/c1-27-21-13-12-20(16-22(24(25)26)19-10-6-3-7-11-19)23(17-21)28-15-14-18-8-4-2-5-9-18/h2-13,17,22H,14-16H2,1H3,(H,25,26)
InChIKeyYKCAUMAHTQIVQU-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.73
Rot. Bonds9

About 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid

3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid (PubChem CID 22683722) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
PubChem CID22683722
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C24H24O4/c1-27-21-13-12-20(16-22(24(25)26)19-10-6-3-7-11-19)23(17-21)28-15-14-18-8-4-2-5-9-18/h2-13,17,22H,14-16H2,1H3,(H,25,26)
InChIKeyYKCAUMAHTQIVQU-UHFFFAOYSA-N
XLogP4.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hexoxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22685773
3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
CID 20993535
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 22682509
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
2-[(4-methoxy-2-phenylmethoxyphenyl)methyl]-3,3-diphenylbutanoic acid
CID 140989107
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid (CID 22683722) is 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid is COc1ccc(CC(C(=O)O)c2ccccc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid?
The InChIKey is YKCAUMAHTQIVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-27-21-13-12-20(16-22(24(25)26)19-10-6-3-7-11-19)23(17-21)28-15-14-18-8-4-2-5-9-18/h2-13,17,22H,14-16H2,1H3,(H,25,26).
What are the key properties of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid?
3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid has a molecular weight of 376.45 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 22683722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).