2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one

C26H22O — CID 53230936

IUPAC2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(Cc1ccccc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C26H22O/c27-25-24-13-7-6-12-22(24)18-26(25,17-19-8-2-1-3-9-19)23-15-14-20-10-4-5-11-21(20)16-23/h1-13,16H,14-15,17-18H2
InChIKeyYXAYWVXCRXDQRV-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.68
Rot. Bonds3

About 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one

2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one (PubChem CID 53230936) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one.

Molecular Properties

Compound Name2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one
PubChem CID53230936
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(Cc1ccccc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C26H22O/c27-25-24-13-7-6-12-22(24)18-26(25,17-19-8-2-1-3-9-19)23-15-14-20-10-4-5-11-21(20)16-23/h1-13,16H,14-15,17-18H2
InChIKeyYXAYWVXCRXDQRV-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one
CID 90065912
2-(2-aminoethyl)-2-phenyl-3H-inden-1-one
CID 70864321
2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10777325
3-(3-oxo-2-phenyl-1H-inden-2-yl)propanenitrile
CID 59542257
(4aS)-4a-benzyl-7-methoxy-3,4,9,10-tetrahydrophenanthren-2-one
CID 11726899
2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
CID 44614047
1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
CID 10243846
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
CID 11616801
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
2,2-diethoxy-3H-inden-1-one
CID 11557601
2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one
CID 20693123
ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 12858249

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one?
The IUPAC name of 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one (CID 53230936) is 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one.
What is the SMILES notation for 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one?
The canonical SMILES for 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one is O=C1c2ccccc2CC1(Cc1ccccc1)C1=Cc2ccccc2CC1.
What is the InChIKey of 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one?
The InChIKey is YXAYWVXCRXDQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c27-25-24-13-7-6-12-22(24)18-26(25,17-19-8-2-1-3-9-19)23-15-14-20-10-4-5-11-21(20)16-23/h1-13,16H,14-15,17-18H2.
What are the key properties of 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one?
2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one has a molecular weight of 350.46 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(3,4-dihydronaphthalen-2-yl)-3H-inden-1-one is sourced from PubChem (CID 53230936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).