2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone

C17H16O — CID 65408196

IUPAC2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C17H16O/c1-12-6-8-14(9-7-12)17(18)16-11-10-13-4-2-3-5-15(13)16/h2-9,16H,10-11H2,1H3
InChIKeyBBRYSETUUIQILU-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.91
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone

2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone (PubChem CID 65408196) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
PubChem CID65408196
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C17H16O/c1-12-6-8-14(9-7-12)17(18)16-11-10-13-4-2-3-5-15(13)16/h2-9,16H,10-11H2,1H3
InChIKeyBBRYSETUUIQILU-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 116505629
(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116561967
2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone
CID 79991196
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 115373964
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
CID 65408183
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone (CID 65408196) is 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone?
The InChIKey is BBRYSETUUIQILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-6-8-14(9-7-12)17(18)16-11-10-13-4-2-3-5-15(13)16/h2-9,16H,10-11H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone?
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone has a molecular weight of 236.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 65408196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).