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

C12H12O2 — CID 6367980

IUPAC2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan
SMILESCc1ccc(/C=C/c2ccc(C)o2)o1
InChIInChI=1S/C12H12O2/c1-9-3-5-11(13-9)7-8-12-6-4-10(2)14-12/h3-8H,1-2H3/b8-7+
InChIKeyBVMDNSUHLYCQRT-BQYQJAHWSA-N
MW188.23 g/mol
LogP3.66
Rot. Bonds2

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

2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan (PubChem CID 6367980) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan.

Molecular Properties

Compound Name2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan
PubChem CID6367980
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan
SMILESCc1ccc(/C=C/c2ccc(C)o2)o1
InChIInChI=1S/C12H12O2/c1-9-3-5-11(13-9)7-8-12-6-4-10(2)14-12/h3-8H,1-2H3/b8-7+
InChIKeyBVMDNSUHLYCQRT-BQYQJAHWSA-N
XLogP3.66
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan?
The IUPAC name of 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan (CID 6367980) is 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan.
What is the SMILES notation for 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan?
The canonical SMILES for 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan is Cc1ccc(/C=C/c2ccc(C)o2)o1.
What is the InChIKey of 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan?
The InChIKey is BVMDNSUHLYCQRT-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H12O2/c1-9-3-5-11(13-9)7-8-12-6-4-10(2)14-12/h3-8H,1-2H3/b8-7+.
What are the key properties of 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan?
2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan has a molecular weight of 188.23 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan is sourced from PubChem (CID 6367980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).