(3,4-dimethylfuran-2-yl)-phenylmethanone

C13H12O2 — CID 67906016

IUPAC(3,4-dimethylfuran-2-yl)-phenylmethanone
SMILESCc1coc(C(=O)c2ccccc2)c1C
InChIInChI=1S/C13H12O2/c1-9-8-15-13(10(9)2)12(14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyAXGIRXVLDZOAMN-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.13
Rot. Bonds2

About (3,4-dimethylfuran-2-yl)-phenylmethanone

(3,4-dimethylfuran-2-yl)-phenylmethanone (PubChem CID 67906016) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3,4-dimethylfuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,4-dimethylfuran-2-yl)-phenylmethanone
PubChem CID67906016
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(3,4-dimethylfuran-2-yl)-phenylmethanone
SMILESCc1coc(C(=O)c2ccccc2)c1C
InChIInChI=1S/C13H12O2/c1-9-8-15-13(10(9)2)12(14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyAXGIRXVLDZOAMN-UHFFFAOYSA-N
XLogP3.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylfuran-2-yl)-phenylmethanone?
The IUPAC name of (3,4-dimethylfuran-2-yl)-phenylmethanone (CID 67906016) is (3,4-dimethylfuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3,4-dimethylfuran-2-yl)-phenylmethanone?
The canonical SMILES for (3,4-dimethylfuran-2-yl)-phenylmethanone is Cc1coc(C(=O)c2ccccc2)c1C.
What is the InChIKey of (3,4-dimethylfuran-2-yl)-phenylmethanone?
The InChIKey is AXGIRXVLDZOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-8-15-13(10(9)2)12(14)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of (3,4-dimethylfuran-2-yl)-phenylmethanone?
(3,4-dimethylfuran-2-yl)-phenylmethanone has a molecular weight of 200.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylfuran-2-yl)-phenylmethanone is sourced from PubChem (CID 67906016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).