(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone

C17H16O3 — CID 115808396

IUPAC(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C17H16O3/c1-9-6-5-7-13-8-14(20-17(9)13)16(18)15-10(2)11(3)19-12(15)4/h5-8H,1-4H3
InChIKeyIUGVFMBVQWYODH-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.49
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone

(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 115808396) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID115808396
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C17H16O3/c1-9-6-5-7-13-8-14(20-17(9)13)16(18)15-10(2)11(3)19-12(15)4/h5-8H,1-4H3
InChIKeyIUGVFMBVQWYODH-UHFFFAOYSA-N
XLogP4.49
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 115808396) is (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2cc3cccc(C)c3o2)c1C.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is IUGVFMBVQWYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-9-6-5-7-13-8-14(20-17(9)13)16(18)15-10(2)11(3)19-12(15)4/h5-8H,1-4H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 268.31 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 115808396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).