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

C14H12O2S — CID 43462923

IUPAC2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H12O2S/c1-9-2-5-13(17-9)14(15)11-3-4-12-10(8-11)6-7-16-12/h2-5,8H,6-7H2,1H3
InChIKeyNCEYIEMUXDYEGG-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.22
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone (PubChem CID 43462923) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
PubChem CID43462923
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H12O2S/c1-9-2-5-13(17-9)14(15)11-3-4-12-10(8-11)6-7-16-12/h2-5,8H,6-7H2,1H3
InChIKeyNCEYIEMUXDYEGG-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
CID 114972651
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
CID 62199751

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone (CID 43462923) is 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2ccc3c(c2)CCO3)s1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone?
The InChIKey is NCEYIEMUXDYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-9-2-5-13(17-9)14(15)11-3-4-12-10(8-11)6-7-16-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone has a molecular weight of 244.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 43462923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).