(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one

C17H14O2 — CID 1481835

IUPAC(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccc3c(c2)CCC3)c2ccccc21
InChIInChI=1S/C17H14O2/c18-17-15-7-2-1-6-14(15)16(19-17)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5H2/t16-/m0/s1
InChIKeyVPGLYMHECAWEON-INIZCTEOSA-N
MW250.30 g/mol
LogP3.44
Rot. Bonds1

About (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one

(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one (PubChem CID 1481835) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one
PubChem CID1481835
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccc3c(c2)CCC3)c2ccccc21
InChIInChI=1S/C17H14O2/c18-17-15-7-2-1-6-14(15)16(19-17)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5H2/t16-/m0/s1
InChIKeyVPGLYMHECAWEON-INIZCTEOSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one
CID 139075246
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one
CID 102227157
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
3-(4-hydroxy-3-nitrophenyl)-3H-2-benzofuran-1-one
CID 69256611
1-(2,3-dihydro-1H-inden-5-yl)-2,3-dihydro-1H-indene
CID 173404050
3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one
CID 82158557
3-fluoro-3H-2-benzofuran-1-one
CID 10197780
3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one
CID 71442115
5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
CID 70201313

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one (CID 1481835) is (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one is O=C1O[C@@H](c2ccc3c(c2)CCC3)c2ccccc21.
What is the InChIKey of (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one?
The InChIKey is VPGLYMHECAWEON-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14O2/c18-17-15-7-2-1-6-14(15)16(19-17)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5H2/t16-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one?
(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 1481835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).