2-(furan-2-yl)-5-methylfuran

C9H8O2 — CID 12704399

IUPAC2-(furan-2-yl)-5-methylfuran
SMILESCc1ccc(-c2ccco2)o1
InChIInChI=1S/C9H8O2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-6H,1H3
InChIKeyZGQUDOQDKZDRQB-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.85
Rot. Bonds1

About 2-(furan-2-yl)-5-methylfuran

2-(furan-2-yl)-5-methylfuran (PubChem CID 12704399) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methylfuran.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methylfuran
PubChem CID12704399
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-(furan-2-yl)-5-methylfuran
SMILESCc1ccc(-c2ccco2)o1
InChIInChI=1S/C9H8O2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-6H,1H3
InChIKeyZGQUDOQDKZDRQB-UHFFFAOYSA-N
XLogP2.85
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylfurfural
CID 12097
2-Acetylfuran
CID 14505
2-Furyl pentyl ketone
CID 61738
2-Butyrylfuran
CID 228588
2-Pentanoylfuran
CID 231325
Furfuryl ethyl ether
CID 80455
Furfuryl methyl ether
CID 61661
Furoin
CID 11100
Hexyl 2-furoate
CID 61984
Furfuryl octanoate
CID 61985
Octyl 2-furoate
CID 62901
Difurfuryl ether
CID 263034

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methylfuran?
The IUPAC name of 2-(furan-2-yl)-5-methylfuran (CID 12704399) is 2-(furan-2-yl)-5-methylfuran.
What is the SMILES notation for 2-(furan-2-yl)-5-methylfuran?
The canonical SMILES for 2-(furan-2-yl)-5-methylfuran is Cc1ccc(-c2ccco2)o1.
What is the InChIKey of 2-(furan-2-yl)-5-methylfuran?
The InChIKey is ZGQUDOQDKZDRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-6H,1H3.
What are the key properties of 2-(furan-2-yl)-5-methylfuran?
2-(furan-2-yl)-5-methylfuran has a molecular weight of 148.16 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methylfuran is sourced from PubChem (CID 12704399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).