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

C16H16O5 — CID 117244439

IUPAC3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C(COc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H16O5/c1-20-15-5-3-2-4-13(15)14(16(18)19)10-21-12-8-6-11(17)7-9-12/h2-9,14,17H,10H2,1H3,(H,18,19)
InChIKeyAVCNLTLUMWKXAV-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.65
Rot. Bonds6

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

3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid (PubChem CID 117244439) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
PubChem CID117244439
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C(COc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H16O5/c1-20-15-5-3-2-4-13(15)14(16(18)19)10-21-12-8-6-11(17)7-9-12/h2-9,14,17H,10H2,1H3,(H,18,19)
InChIKeyAVCNLTLUMWKXAV-UHFFFAOYSA-N
XLogP2.65
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244430
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241514
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953446
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid (CID 117244439) is 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid is COc1ccccc1C(COc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is AVCNLTLUMWKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-20-15-5-3-2-4-13(15)14(16(18)19)10-21-12-8-6-11(17)7-9-12/h2-9,14,17H,10H2,1H3,(H,18,19).
What are the key properties of 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117244439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).