2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan

C14H14O3 — CID 162353881

IUPAC2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan
SMILESCc1ccc(C2(c3ccc(C)o3)CC=CO2)o1
InChIInChI=1S/C14H14O3/c1-10-4-6-12(16-10)14(8-3-9-15-14)13-7-5-11(2)17-13/h3-7,9H,8H2,1-2H3
InChIKeyFKPCGGVMIATCEY-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.67
Rot. Bonds2

About 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan

2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan (PubChem CID 162353881) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan.

Molecular Properties

Compound Name2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan
PubChem CID162353881
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan
SMILESCc1ccc(C2(c3ccc(C)o3)CC=CO2)o1
InChIInChI=1S/C14H14O3/c1-10-4-6-12(16-10)14(8-3-9-15-14)13-7-5-11(2)17-13/h3-7,9H,8H2,1-2H3
InChIKeyFKPCGGVMIATCEY-UHFFFAOYSA-N
XLogP3.67
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methylfuran-2-yl)cyclopropan-1-amine
CID 83681920
1-(5-methylfuran-2-yl)cyclopentan-1-amine
CID 96736840
1-[1-(5-methylfuran-2-yl)cyclopropyl]cyclopropan-1-amine
CID 83683243
[1-(5-methylfuran-2-yl)cyclopropyl]methanamine
CID 96733818
2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid
CID 83683572
2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine
CID 112714948
[2-(5-methylfuran-2-yl)pyrrolidin-2-yl]methanol
CID 115103335
4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane
CID 83693529
2-methyl-2-(5-methylfuran-2-yl)piperidine
CID 117271321
1-[1-(5-methylfuran-2-yl)cyclohexyl]piperidine
CID 97355679
4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline
CID 116871216
4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one
CID 66107844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan?
The IUPAC name of 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan (CID 162353881) is 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan.
What is the SMILES notation for 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan?
The canonical SMILES for 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan is Cc1ccc(C2(c3ccc(C)o3)CC=CO2)o1.
What is the InChIKey of 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan?
The InChIKey is FKPCGGVMIATCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-4-6-12(16-10)14(8-3-9-15-14)13-7-5-11(2)17-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan?
2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan has a molecular weight of 230.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(5-methylfuran-2-yl)-3H-furan-2-yl]furan is sourced from PubChem (CID 162353881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).