4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid

C12H16O5 — CID 6493924

IUPAC4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
SMILESCOc1ccc(OC)c(C(O)CCC(=O)O)c1
InChIInChI=1S/C12H16O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7,10,13H,4,6H2,1-2H3,(H,14,15)
InChIKeyRZQMALHEURKIFF-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.60
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid

4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid (PubChem CID 6493924) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
PubChem CID6493924
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
SMILESCOc1ccc(OC)c(C(O)CCC(=O)O)c1
InChIInChI=1S/C12H16O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7,10,13H,4,6H2,1-2H3,(H,14,15)
InChIKeyRZQMALHEURKIFF-UHFFFAOYSA-N
XLogP1.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
(4S)-4-(3-bromo-2,4-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 114207364
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494
3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 110830674
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
CID 82348759
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid (CID 6493924) is 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid is COc1ccc(OC)c(C(O)CCC(=O)O)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid?
The InChIKey is RZQMALHEURKIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7,10,13H,4,6H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid?
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 6493924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).