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

C11H12O2 — CID 600481

IUPAC2-methyl-5-[(5-methylfuran-2-yl)methyl]furan
SMILESCc1ccc(Cc2ccc(C)o2)o1
InChIInChI=1S/C11H12O2/c1-8-3-5-10(12-8)7-11-6-4-9(2)13-11/h3-6H,7H2,1-2H3
InChIKeyFVKCJDISKKFSJI-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.08
Rot. Bonds2

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

2-methyl-5-[(5-methylfuran-2-yl)methyl]furan (PubChem CID 600481) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan.

Molecular Properties

Compound Name2-methyl-5-[(5-methylfuran-2-yl)methyl]furan
PubChem CID600481
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-methyl-5-[(5-methylfuran-2-yl)methyl]furan
SMILESCc1ccc(Cc2ccc(C)o2)o1
InChIInChI=1S/C11H12O2/c1-8-3-5-10(12-8)7-11-6-4-9(2)13-11/h3-6H,7H2,1-2H3
InChIKeyFVKCJDISKKFSJI-UHFFFAOYSA-N
XLogP3.08
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan?
The IUPAC name of 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan (CID 600481) is 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan.
What is the SMILES notation for 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan?
The canonical SMILES for 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan is Cc1ccc(Cc2ccc(C)o2)o1.
What is the InChIKey of 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan?
The InChIKey is FVKCJDISKKFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8-3-5-10(12-8)7-11-6-4-9(2)13-11/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan?
2-methyl-5-[(5-methylfuran-2-yl)methyl]furan has a molecular weight of 176.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methylfuran-2-yl)methyl]furan is sourced from PubChem (CID 600481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).