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

C18H18O — CID 65408183

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)C2CCc3ccccc32)c1
InChIInChI=1S/C18H18O/c1-13-5-4-6-14(11-13)12-18(19)17-10-9-15-7-2-3-8-16(15)17/h2-8,11,17H,9-10,12H2,1H3
InChIKeyMONSZKQNEBSEHC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.84
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone (PubChem CID 65408183) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
PubChem CID65408183
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)C2CCc3ccccc32)c1
InChIInChI=1S/C18H18O/c1-13-5-4-6-14(11-13)12-18(19)17-10-9-15-7-2-3-8-16(15)17/h2-8,11,17H,9-10,12H2,1H3
InChIKeyMONSZKQNEBSEHC-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 103039403
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65406653
[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822767
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethanone
CID 64986764
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methylphenyl)propan-1-one
CID 63710119
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
CID 23248
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone (CID 65408183) is 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)C2CCc3ccccc32)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is MONSZKQNEBSEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-13-5-4-6-14(11-13)12-18(19)17-10-9-15-7-2-3-8-16(15)17/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone?
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 65408183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).