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

C16H16O5 — CID 83954988

IUPAC3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccc(O)cc2)c1O
InChIInChI=1S/C16H16O5/c1-21-14-4-2-3-11(15(14)18)9-13(16(19)20)10-5-7-12(17)8-6-10/h2-8,13,17-18H,9H2,1H3,(H,19,20)
InChIKeyIDHVKOLQZDHUAA-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.52
Rot. Bonds5

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

3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 83954988) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
PubChem CID83954988
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccc(O)cc2)c1O
InChIInChI=1S/C16H16O5/c1-21-14-4-2-3-11(15(14)18)9-13(16(19)20)10-5-7-12(17)8-6-10/h2-8,13,17-18H,9H2,1H3,(H,19,20)
InChIKeyIDHVKOLQZDHUAA-UHFFFAOYSA-N
XLogP2.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
2-methoxy-6-(2-sulfanylpropyl)phenol
CID 137432074
3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (CID 83954988) is 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is COc1cccc(CC(C(=O)O)c2ccc(O)cc2)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is IDHVKOLQZDHUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-21-14-4-2-3-11(15(14)18)9-13(16(19)20)10-5-7-12(17)8-6-10/h2-8,13,17-18H,9H2,1H3,(H,19,20).
What are the key properties of 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83954988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).