2-(ethenoxymethyl)-5-(methoxymethyl)furan

C9H12O3 — CID 147170567

IUPAC2-(ethenoxymethyl)-5-(methoxymethyl)furan
SMILESC=COCc1ccc(COC)o1
InChIInChI=1S/C9H12O3/c1-3-11-7-9-5-4-8(12-9)6-10-2/h3-5H,1,6-7H2,2H3
InChIKeyBXPZHYPZNOGAPP-UHFFFAOYSA-N
MW168.19 g/mol
LogP2.09
Rot. Bonds5

About 2-(ethenoxymethyl)-5-(methoxymethyl)furan

2-(ethenoxymethyl)-5-(methoxymethyl)furan (PubChem CID 147170567) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-5-(methoxymethyl)furan.

Molecular Properties

Compound Name2-(ethenoxymethyl)-5-(methoxymethyl)furan
PubChem CID147170567
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(ethenoxymethyl)-5-(methoxymethyl)furan
SMILESC=COCc1ccc(COC)o1
InChIInChI=1S/C9H12O3/c1-3-11-7-9-5-4-8(12-9)6-10-2/h3-5H,1,6-7H2,2H3
InChIKeyBXPZHYPZNOGAPP-UHFFFAOYSA-N
XLogP2.09
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

chromium;formaldehyde;2-(methoxymethyl)-5-methylfuran
CID 173392423
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
CID 12655820
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine
CID 55273586
(E)-3-[5-(methoxymethyl)furan-2-yl]prop-2-enenitrile
CID 131243022
N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine
CID 130370019
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
5-(methoxymethyl)furan-2-carbothioamide
CID 127005352
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine
CID 115710834
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
CID 115710576
3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
CID 115710395

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-5-(methoxymethyl)furan?
The IUPAC name of 2-(ethenoxymethyl)-5-(methoxymethyl)furan (CID 147170567) is 2-(ethenoxymethyl)-5-(methoxymethyl)furan.
What is the SMILES notation for 2-(ethenoxymethyl)-5-(methoxymethyl)furan?
The canonical SMILES for 2-(ethenoxymethyl)-5-(methoxymethyl)furan is C=COCc1ccc(COC)o1.
What is the InChIKey of 2-(ethenoxymethyl)-5-(methoxymethyl)furan?
The InChIKey is BXPZHYPZNOGAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-11-7-9-5-4-8(12-9)6-10-2/h3-5H,1,6-7H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-5-(methoxymethyl)furan?
2-(ethenoxymethyl)-5-(methoxymethyl)furan has a molecular weight of 168.19 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-5-(methoxymethyl)furan is sourced from PubChem (CID 147170567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).