2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone

C19H20O — CID 114974381

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H20O/c1-13-8-14(2)10-18(9-13)19(20)12-15-6-7-16-4-3-5-17(16)11-15/h6-11H,3-5,12H2,1-2H3
InChIKeyXRXHXXGPDDQVRB-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.22
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone (PubChem CID 114974381) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
PubChem CID114974381
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H20O/c1-13-8-14(2)10-18(9-13)19(20)12-15-6-7-16-4-3-5-17(16)11-15/h6-11H,3-5,12H2,1-2H3
InChIKeyXRXHXXGPDDQVRB-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone
CID 113453266
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105103740
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-[2-(aminomethyl)-4-pyridinyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116601932

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone (CID 114974381) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(C(=O)Cc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is XRXHXXGPDDQVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-13-8-14(2)10-18(9-13)19(20)12-15-6-7-16-4-3-5-17(16)11-15/h6-11H,3-5,12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 114974381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).