3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid

C17H18O5 — CID 83955199

IUPAC3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1cc(CC(C(=O)O)c2ccccc2OC)ccc1O
InChIInChI=1S/C17H18O5/c1-21-15-6-4-3-5-12(15)13(17(19)20)9-11-7-8-14(18)16(10-11)22-2/h3-8,10,13,18H,9H2,1-2H3,(H,19,20)
InChIKeyCFDFGBGTFURAJU-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.82
Rot. Bonds6

About 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid

3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid (PubChem CID 83955199) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
PubChem CID83955199
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1cc(CC(C(=O)O)c2ccccc2OC)ccc1O
InChIInChI=1S/C17H18O5/c1-21-15-6-4-3-5-12(15)13(17(19)20)9-11-7-8-14(18)16(10-11)22-2/h3-8,10,13,18H,9H2,1-2H3,(H,19,20)
InChIKeyCFDFGBGTFURAJU-UHFFFAOYSA-N
XLogP2.82
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83955219
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82095196
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953446
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid (CID 83955199) is 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid is COc1cc(CC(C(=O)O)c2ccccc2OC)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is CFDFGBGTFURAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-21-15-6-4-3-5-12(15)13(17(19)20)9-11-7-8-14(18)16(10-11)22-2/h3-8,10,13,18H,9H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83955199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).