2,4-dimethylfuran;2,3-dimethylphenol

C14H18O2 — CID 161358551

IUPAC2,4-dimethylfuran;2,3-dimethylphenol
SMILESCc1cccc(O)c1C.Cc1coc(C)c1
InChIInChI=1S/C8H10O.C6H8O/c1-6-4-3-5-8(9)7(6)2;1-5-3-6(2)7-4-5/h3-5,9H,1-2H3;3-4H,1-2H3
InChIKeyVOWCYAHQKCDCPU-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.91
Rot. Bonds

About 2,4-dimethylfuran;2,3-dimethylphenol

2,4-dimethylfuran;2,3-dimethylphenol (PubChem CID 161358551) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,4-dimethylfuran;2,3-dimethylphenol.

Molecular Properties

Compound Name2,4-dimethylfuran;2,3-dimethylphenol
PubChem CID161358551
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2,4-dimethylfuran;2,3-dimethylphenol
SMILESCc1cccc(O)c1C.Cc1coc(C)c1
InChIInChI=1S/C8H10O.C6H8O/c1-6-4-3-5-8(9)7(6)2;1-5-3-6(2)7-4-5/h3-5,9H,1-2H3;3-4H,1-2H3
InChIKeyVOWCYAHQKCDCPU-UHFFFAOYSA-N
XLogP3.91
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylfuran;2,3-dimethylphenol?
The IUPAC name of 2,4-dimethylfuran;2,3-dimethylphenol (CID 161358551) is 2,4-dimethylfuran;2,3-dimethylphenol.
What is the SMILES notation for 2,4-dimethylfuran;2,3-dimethylphenol?
The canonical SMILES for 2,4-dimethylfuran;2,3-dimethylphenol is Cc1cccc(O)c1C.Cc1coc(C)c1.
What is the InChIKey of 2,4-dimethylfuran;2,3-dimethylphenol?
The InChIKey is VOWCYAHQKCDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H8O/c1-6-4-3-5-8(9)7(6)2;1-5-3-6(2)7-4-5/h3-5,9H,1-2H3;3-4H,1-2H3.
What are the key properties of 2,4-dimethylfuran;2,3-dimethylphenol?
2,4-dimethylfuran;2,3-dimethylphenol has a molecular weight of 218.30 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylfuran;2,3-dimethylphenol is sourced from PubChem (CID 161358551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).