2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid

C11H14O5 — CID 170823897

IUPAC2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)c(C)c1
InChIInChI=1S/C11H14O5/c1-6-5-7(16-2)3-4-8(6)9(12)10(13)11(14)15/h3-5,9-10,12-13H,1-2H3,(H,14,15)
InChIKeyFUJGAZSLYKPYQL-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.48
Rot. Bonds4

About 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid

2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid (PubChem CID 170823897) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
PubChem CID170823897
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)c(C)c1
InChIInChI=1S/C11H14O5/c1-6-5-7(16-2)3-4-8(6)9(12)10(13)11(14)15/h3-5,9-10,12-13H,1-2H3,(H,14,15)
InChIKeyFUJGAZSLYKPYQL-UHFFFAOYSA-N
XLogP0.48
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-ol
CID 113422305
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
2-methoxy-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 116711995
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate
CID 82349885
S-[2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propyl] ethanethioate
CID 170821864
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
(2,5-dimethylphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101284
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid (CID 170823897) is 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid is COc1ccc(C(O)C(O)C(=O)O)c(C)c1.
What is the InChIKey of 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid?
The InChIKey is FUJGAZSLYKPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6-5-7(16-2)3-4-8(6)9(12)10(13)11(14)15/h3-5,9-10,12-13H,1-2H3,(H,14,15).
What are the key properties of 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid?
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 170823897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).