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

C18H18O — CID 65409141

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H18O/c1-13-6-8-14(9-7-13)10-18(19)17-11-15-4-2-3-5-16(15)12-17/h2-9,17H,10-12H2,1H3
InChIKeyYMUCOQALTMYMJH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.52
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone (PubChem CID 65409141) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
PubChem CID65409141
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H18O/c1-13-6-8-14(9-7-13)10-18(19)17-11-15-4-2-3-5-16(15)12-17/h2-9,17H,10-12H2,1H3
InChIKeyYMUCOQALTMYMJH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549786
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 143250120
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
CID 61080285
2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 65407228
1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65408168
2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66477283
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone (CID 65409141) is 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2Cc3ccccc3C2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is YMUCOQALTMYMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-13-6-8-14(9-7-13)10-18(19)17-11-15-4-2-3-5-16(15)12-17/h2-9,17H,10-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone?
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 3.52, 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-2-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 65409141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).