3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid

C20H18O4 — CID 83955219

IUPAC3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
SMILESCOc1cc(CC(C(=O)O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C20H18O4/c1-24-19-12-13(9-10-18(19)21)11-17(20(22)23)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,12,17,21H,11H2,1H3,(H,22,23)
InChIKeyJQLZVTZUEFLQHD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.96
Rot. Bonds5

About 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid

3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid (PubChem CID 83955219) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
PubChem CID83955219
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
SMILESCOc1cc(CC(C(=O)O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C20H18O4/c1-24-19-12-13(9-10-18(19)21)11-17(20(22)23)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,12,17,21H,11H2,1H3,(H,22,23)
InChIKeyJQLZVTZUEFLQHD-UHFFFAOYSA-N
XLogP3.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
CID 94734384
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
CID 112720942
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid
CID 82140892
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-naphthalen-1-ylpropanoic acid?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid (CID 83955219) is 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid is COc1cc(CC(C(=O)O)c2cccc3ccccc23)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid?
The InChIKey is JQLZVTZUEFLQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-24-19-12-13(9-10-18(19)21)11-17(20(22)23)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,12,17,21H,11H2,1H3,(H,22,23).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid?
3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid has a molecular weight of 322.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 83955219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).