(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone

C15H14O3 — CID 43463835

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H14O3/c1-9-5-6-17-15(9)14(16)11-3-4-13-12(8-11)7-10(2)18-13/h3-6,8,10H,7H2,1-2H3
InChIKeyKEZMDGLLUDYFJB-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.14
Rot. Bonds2

About (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone (PubChem CID 43463835) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
PubChem CID43463835
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H14O3/c1-9-5-6-17-15(9)14(16)11-3-4-13-12(8-11)7-10(2)18-13/h3-6,8,10H,7H2,1-2H3
InChIKeyKEZMDGLLUDYFJB-UHFFFAOYSA-N
XLogP3.14
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(4-methylthiophen-3-yl)methanone
CID 79803151
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79981125
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone (CID 43463835) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone?
The InChIKey is KEZMDGLLUDYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-5-6-17-15(9)14(16)11-3-4-13-12(8-11)7-10(2)18-13/h3-6,8,10H,7H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone has a molecular weight of 242.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).