5-(methoxymethyl)-4-methylfuran-2-carboxylic acid

C8H10O4 — CID 146256731

IUPAC5-(methoxymethyl)-4-methylfuran-2-carboxylic acid
SMILESCOCc1oc(C(=O)O)cc1C
InChIInChI=1S/C8H10O4/c1-5-3-6(8(9)10)12-7(5)4-11-2/h3H,4H2,1-2H3,(H,9,10)
InChIKeySKIOQVWUOADMFI-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.43
Rot. Bonds3

About 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid

5-(methoxymethyl)-4-methylfuran-2-carboxylic acid (PubChem CID 146256731) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-4-methylfuran-2-carboxylic acid
PubChem CID146256731
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-(methoxymethyl)-4-methylfuran-2-carboxylic acid
SMILESCOCc1oc(C(=O)O)cc1C
InChIInChI=1S/C8H10O4/c1-5-3-6(8(9)10)12-7(5)4-11-2/h3H,4H2,1-2H3,(H,9,10)
InChIKeySKIOQVWUOADMFI-UHFFFAOYSA-N
XLogP1.43
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(carboxymethyl)-4-methylfuran-2-carboxylic acid
CID 112712441
5-formyl-4-methylfuran-2-carboxylic acid
CID 83681206
4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid
CID 165461215
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082
2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 82399157
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
5-methyl-4-sulfanylfuran-2-carboxylic acid
CID 89383113
N,5-diethyl-4-methylfuran-2-carboxamide
CID 130645001
4-[2-[(5-carboxy-2-methylfuran-3-yl)methylsulfanyl]ethylsulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 21231587
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
4-chloro-5-methoxyfuran-2-carboxylic acid
CID 97035111
5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid
CID 114253168

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid (CID 146256731) is 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid is COCc1oc(C(=O)O)cc1C.
What is the InChIKey of 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid?
The InChIKey is SKIOQVWUOADMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-3-6(8(9)10)12-7(5)4-11-2/h3H,4H2,1-2H3,(H,9,10).
What are the key properties of 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid?
5-(methoxymethyl)-4-methylfuran-2-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-4-methylfuran-2-carboxylic acid is sourced from PubChem (CID 146256731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).