(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

C18H13ClO2 — CID 114725485

IUPAC(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)C1Cc2ccccc2C1
InChIInChI=1S/C18H13ClO2/c19-15-7-3-6-13-10-16(21-18(13)15)17(20)14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14H,8-9H2
InChIKeyZELDMLGAFBKQRI-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.68
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 114725485) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID114725485
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)C1Cc2ccccc2C1
InChIInChI=1S/C18H13ClO2/c19-15-7-3-6-13-10-16(21-18(13)15)17(20)14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14H,8-9H2
InChIKeyZELDMLGAFBKQRI-UHFFFAOYSA-N
XLogP4.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114725492
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458183
2,3-dihydro-1H-inden-2-yl-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114725484
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526
1-(7-chloro-1-benzofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 114725597
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
CID 114725382
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 114725485) is (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is O=C(c1cc2cccc(Cl)c2o1)C1Cc2ccccc2C1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is ZELDMLGAFBKQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c19-15-7-3-6-13-10-16(21-18(13)15)17(20)14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14H,8-9H2.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 296.75 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 114725485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).