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

C11H14O5 — CID 18443662

IUPAC3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
SMILESCOc1cc(CC(OC)C(=O)O)ccc1O
InChIInChI=1S/C11H14O5/c1-15-9-5-7(3-4-8(9)12)6-10(16-2)11(13)14/h3-5,10,12H,6H2,1-2H3,(H,13,14)
InChIKeyNJISOZFQJSBGHE-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.04
Rot. Bonds5

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

3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid (PubChem CID 18443662) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
PubChem CID18443662
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
SMILESCOc1cc(CC(OC)C(=O)O)ccc1O
InChIInChI=1S/C11H14O5/c1-15-9-5-7(3-4-8(9)12)6-10(16-2)11(13)14/h3-5,10,12H,6H2,1-2H3,(H,13,14)
InChIKeyNJISOZFQJSBGHE-UHFFFAOYSA-N
XLogP1.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
2,7-bis[(4-hydroxy-3-methoxyphenyl)methyl]octanedioic acid
CID 122512055
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
CID 67008033
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
benzyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 70209453
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid (CID 18443662) is 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid is COc1cc(CC(OC)C(=O)O)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid?
The InChIKey is NJISOZFQJSBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-9-5-7(3-4-8(9)12)6-10(16-2)11(13)14/h3-5,10,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid?
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.04, 5 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-methoxypropanoic acid is sourced from PubChem (CID 18443662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).