5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid

C9H12O5 — CID 106947351

IUPAC5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
SMILESCOCCC(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H12O5/c1-13-5-4-6(10)7-2-3-8(14-7)9(11)12/h2-3,6,10H,4-5H2,1H3,(H,11,12)
InChIKeyVIZCBQQCURUIBF-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.05
Rot. Bonds5

About 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid

5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid (PubChem CID 106947351) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
PubChem CID106947351
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
SMILESCOCCC(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H12O5/c1-13-5-4-6(10)7-2-3-8(14-7)9(11)12/h2-3,6,10H,4-5H2,1H3,(H,11,12)
InChIKeyVIZCBQQCURUIBF-UHFFFAOYSA-N
XLogP1.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415
5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
CID 113426720
5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
CID 79083530
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-[2-(3,4-dimethoxyphenyl)-1-hydroxyethyl]furan-2-carboxylic acid
CID 106947420
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
CID 170823605
5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
CID 106946154
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
CID 63943954

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid (CID 106947351) is 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid is COCCC(O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid?
The InChIKey is VIZCBQQCURUIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-13-5-4-6(10)7-2-3-8(14-7)9(11)12/h2-3,6,10H,4-5H2,1H3,(H,11,12).
What are the key properties of 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid?
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid is sourced from PubChem (CID 106947351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).