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

C13H16O2 — CID 605162

IUPAC2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan
SMILESCc1ccc(C(C)(C)c2ccc(C)o2)o1
InChIInChI=1S/C13H16O2/c1-9-5-7-11(14-9)13(3,4)12-8-6-10(2)15-12/h5-8H,1-4H3
InChIKeyNKSPRRDOULOQCZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.82
Rot. Bonds2

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

2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan (PubChem CID 605162) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan.

Molecular Properties

Compound Name2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan
PubChem CID605162
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan
SMILESCc1ccc(C(C)(C)c2ccc(C)o2)o1
InChIInChI=1S/C13H16O2/c1-9-5-7-11(14-9)13(3,4)12-8-6-10(2)15-12/h5-8H,1-4H3
InChIKeyNKSPRRDOULOQCZ-UHFFFAOYSA-N
XLogP3.82
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan?
The IUPAC name of 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan (CID 605162) is 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan.
What is the SMILES notation for 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan?
The canonical SMILES for 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan is Cc1ccc(C(C)(C)c2ccc(C)o2)o1.
What is the InChIKey of 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan?
The InChIKey is NKSPRRDOULOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-7-11(14-9)13(3,4)12-8-6-10(2)15-12/h5-8H,1-4H3.
What are the key properties of 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan?
2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan has a molecular weight of 204.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(5-methylfuran-2-yl)propan-2-yl]furan is sourced from PubChem (CID 605162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).