methyl 5-(ethoxymethyl)furan-2-carboxylate

C9H12O4 — CID 4193919

IUPACmethyl 5-(ethoxymethyl)furan-2-carboxylate
SMILESCCOCc1ccc(C(=O)OC)o1
InChIInChI=1S/C9H12O4/c1-3-12-6-7-4-5-8(13-7)9(10)11-2/h4-5H,3,6H2,1-2H3
InChIKeyQMTFZBVUCNNIPC-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.60
Rot. Bonds4

About methyl 5-(ethoxymethyl)furan-2-carboxylate

methyl 5-(ethoxymethyl)furan-2-carboxylate (PubChem CID 4193919) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 5-(ethoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(ethoxymethyl)furan-2-carboxylate
PubChem CID4193919
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl 5-(ethoxymethyl)furan-2-carboxylate
SMILESCCOCc1ccc(C(=O)OC)o1
InChIInChI=1S/C9H12O4/c1-3-12-6-7-4-5-8(13-7)9(10)11-2/h4-5H,3,6H2,1-2H3
InChIKeyQMTFZBVUCNNIPC-UHFFFAOYSA-N
XLogP1.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate
CID 22951562
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine
CID 10559364
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[(3-chloropyrrolidin-2-yl)methoxymethyl]furan-2-carboxylate
CID 66993287
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233

Frequently Asked Questions

What is the IUPAC name of methyl 5-(ethoxymethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(ethoxymethyl)furan-2-carboxylate (CID 4193919) is methyl 5-(ethoxymethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(ethoxymethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(ethoxymethyl)furan-2-carboxylate is CCOCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-(ethoxymethyl)furan-2-carboxylate?
The InChIKey is QMTFZBVUCNNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-12-6-7-4-5-8(13-7)9(10)11-2/h4-5H,3,6H2,1-2H3.
What are the key properties of methyl 5-(ethoxymethyl)furan-2-carboxylate?
methyl 5-(ethoxymethyl)furan-2-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(ethoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 4193919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).