1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one

C19H20O2 — CID 65446449

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C19H20O2/c1-21-16-10-6-14(7-11-16)8-13-19(20)18-12-9-15-4-2-3-5-17(15)18/h2-7,10-11,18H,8-9,12-13H2,1H3
InChIKeyZLGGXZYOHKGYSE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.93
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one

1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 65446449) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID65446449
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C19H20O2/c1-21-16-10-6-14(7-11-16)8-13-19(20)18-12-9-15-4-2-3-5-17(15)18/h2-7,10-11,18H,8-9,12-13H2,1H3
InChIKeyZLGGXZYOHKGYSE-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one
CID 130257594
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110290878
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
1-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfonylbutan-1-one
CID 65407807
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48502605
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one (CID 65446449) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)C2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is ZLGGXZYOHKGYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-21-16-10-6-14(7-11-16)8-13-19(20)18-12-9-15-4-2-3-5-17(15)18/h2-7,10-11,18H,8-9,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 65446449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).