2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid

C9H12O4 — CID 587459

IUPAC2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid
SMILESCCOCc1oc(C)cc1C(=O)O
InChIInChI=1S/C9H12O4/c1-3-12-5-8-7(9(10)11)4-6(2)13-8/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyNZPVQROUYMZDJC-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.82
Rot. Bonds4

About 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid

2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid (PubChem CID 587459) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid
PubChem CID587459
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid
SMILESCCOCc1oc(C)cc1C(=O)O
InChIInChI=1S/C9H12O4/c1-3-12-5-8-7(9(10)11)4-6(2)13-8/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyNZPVQROUYMZDJC-UHFFFAOYSA-N
XLogP1.82
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(ethoxymethyl)-5-methylbenzoic acid
CID 134420943
2-(ethoxymethyl)-5-methylbenzoic acid
CID 117221377
2-[3,3-bis(ethylsulfanyl)-2-(trifluoromethyl)prop-2-enyl]-5-methylfuran-3-carboxylic acid
CID 102573471
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate
CID 165352519
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
2-(ethoxymethyl)-1-benzothiophene-7-carboxylic acid
CID 117183387
2-tert-butyl-5-(ethoxymethyl)benzoic acid
CID 150300858
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
CID 86730690
CID 86730690
4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid
CID 80730360
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid?
The IUPAC name of 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid (CID 587459) is 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid?
The canonical SMILES for 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid is CCOCc1oc(C)cc1C(=O)O.
What is the InChIKey of 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid?
The InChIKey is NZPVQROUYMZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-12-5-8-7(9(10)11)4-6(2)13-8/h4H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid?
2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-methylfuran-3-carboxylic acid is sourced from PubChem (CID 587459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).