2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone

C14H12O2S — CID 115814343

IUPAC2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2OCC3)s1
InChIInChI=1S/C14H12O2S/c1-9-5-6-12(17-9)13(15)11-4-2-3-10-7-8-16-14(10)11/h2-6H,7-8H2,1H3
InChIKeyPDAWSRPXTLAKRW-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.22
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone

2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone (PubChem CID 115814343) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
PubChem CID115814343
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2OCC3)s1
InChIInChI=1S/C14H12O2S/c1-9-5-6-12(17-9)13(15)11-4-2-3-10-7-8-16-14(10)11/h2-6H,7-8H2,1H3
InChIKeyPDAWSRPXTLAKRW-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

(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone
CID 114279701
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744119
(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107967846
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone
CID 114938943
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
CID 114744044
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone (CID 115814343) is 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2cccc3c2OCC3)s1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone?
The InChIKey is PDAWSRPXTLAKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-9-5-6-12(17-9)13(15)11-4-2-3-10-7-8-16-14(10)11/h2-6H,7-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone?
2,3-dihydro-1-benzofuran-7-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-7-yl-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 115814343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).