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

C17H22O — CID 65407814

IUPAC2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2CCc3ccccc32)C1
InChIInChI=1S/C17H22O/c1-12-5-4-7-14(11-12)17(18)16-10-9-13-6-2-3-8-15(13)16/h2-3,6,8,12,14,16H,4-5,7,9-11H2,1H3
InChIKeyKTKPMKWNUPLNBQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.11
Rot. Bonds2

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

2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone (PubChem CID 65407814) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone
PubChem CID65407814
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2CCc3ccccc32)C1
InChIInChI=1S/C17H22O/c1-12-5-4-7-14(11-12)17(18)16-10-9-13-6-2-3-8-15(13)16/h2-3,6,8,12,14,16H,4-5,7,9-11H2,1H3
InChIKeyKTKPMKWNUPLNBQ-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone
CID 114976389
3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone
CID 65407202
2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone
CID 116594591
2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methanone
CID 65409150
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79909189
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943533
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120679080

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone (CID 65407814) is 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2CCc3ccccc32)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone?
The InChIKey is KTKPMKWNUPLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-12-5-4-7-14(11-12)17(18)16-10-9-13-6-2-3-8-15(13)16/h2-3,6,8,12,14,16H,4-5,7,9-11H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone?
2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone has a molecular weight of 242.36 g/mol, XLogP of 4.11, 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-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 65407814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).