4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid

C15H22O4 — CID 62274302

IUPAC4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid
SMILESCCC1CCCCC1OCc1cc(C(=O)O)oc1C
InChIInChI=1S/C15H22O4/c1-3-11-6-4-5-7-13(11)18-9-12-8-14(15(16)17)19-10(12)2/h8,11,13H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyQJMZYZSNOBYEMH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds5

About 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid

4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62274302) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid
PubChem CID62274302
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid
SMILESCCC1CCCCC1OCc1cc(C(=O)O)oc1C
InChIInChI=1S/C15H22O4/c1-3-11-6-4-5-7-13(11)18-9-12-8-14(15(16)17)19-10(12)2/h8,11,13H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyQJMZYZSNOBYEMH-UHFFFAOYSA-N
XLogP3.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 62445112
4-[(2-ethylcyclohexyl)oxymethyl]-3-fluorobenzoic acid
CID 63073948
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62443965
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490
5-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzoic acid
CID 107881104
5-[(2-ethylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 63576626
5-methyl-4-(pentoxymethyl)furan-2-carboxylic acid
CID 62275146
4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63568934
3-[3-[(2-ethylcyclohexyl)oxymethyl]phenyl]prop-2-enoic acid
CID 76908772
4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106137095
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 114106528

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid (CID 62274302) is 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid is CCC1CCCCC1OCc1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is QJMZYZSNOBYEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-11-6-4-5-7-13(11)18-9-12-8-14(15(16)17)19-10(12)2/h8,11,13H,3-7,9H2,1-2H3,(H,16,17).
What are the key properties of 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid?
4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62274302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).