3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid

C12H16O4 — CID 82080605

IUPAC3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
SMILESCOc1ccc(C)cc1CC(O)CC(=O)O
InChIInChI=1S/C12H16O4/c1-8-3-4-11(16-2)9(5-8)6-10(13)7-12(14)15/h3-5,10,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyYNVFICZAYQQULH-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.38
Rot. Bonds5

About 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid

3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid (PubChem CID 82080605) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
PubChem CID82080605
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
SMILESCOc1ccc(C)cc1CC(O)CC(=O)O
InChIInChI=1S/C12H16O4/c1-8-3-4-11(16-2)9(5-8)6-10(13)7-12(14)15/h3-5,10,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyYNVFICZAYQQULH-UHFFFAOYSA-N
XLogP1.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[2-(2-methoxy-5-methylphenyl)ethylamino]butanoic acid
CID 115123097
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546885
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
(2S)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546925
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
(2R)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546917
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid (CID 82080605) is 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid is COc1ccc(C)cc1CC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid?
The InChIKey is YNVFICZAYQQULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8-3-4-11(16-2)9(5-8)6-10(13)7-12(14)15/h3-5,10,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid?
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid is sourced from PubChem (CID 82080605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).