1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one

C27H30O — CID 130257594

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one
SMILESCCC1C(CCC(=O)C2CCc3ccccc32)=CC=C1CCc1ccccc1
InChIInChI=1S/C27H30O/c1-2-24-22(13-12-20-8-4-3-5-9-20)14-15-23(24)17-19-27(28)26-18-16-21-10-6-7-11-25(21)26/h3-11,14-15,24,26H,2,12-13,16-19H2,1H3
InChIKeyNIUPAHNNSKKSHQ-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.59
Rot. Bonds8

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one

1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one (PubChem CID 130257594) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one
PubChem CID130257594
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one
SMILESCCC1C(CCC(=O)C2CCc3ccccc32)=CC=C1CCc1ccccc1
InChIInChI=1S/C27H30O/c1-2-24-22(13-12-20-8-4-3-5-9-20)14-15-23(24)17-19-27(28)26-18-16-21-10-6-7-11-25(21)26/h3-11,14-15,24,26H,2,12-13,16-19H2,1H3
InChIKeyNIUPAHNNSKKSHQ-UHFFFAOYSA-N
XLogP6.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 119347606
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
CID 65408183
1-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfonylbutan-1-one
CID 65407807
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 158912693
4-oxo-4-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyl)butanoic acid
CID 155638342
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one?
The IUPAC name of 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) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one is CCC1C(CCC(=O)C2CCc3ccccc32)=CC=C1CCc1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one?
The InChIKey is NIUPAHNNSKKSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-2-24-22(13-12-20-8-4-3-5-9-20)14-15-23(24)17-19-27(28)26-18-16-21-10-6-7-11-25(21)26/h3-11,14-15,24,26H,2,12-13,16-19H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one?
1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one has a molecular weight of 370.54 g/mol, XLogP of 6.59, 8 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)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one is sourced from PubChem (CID 130257594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).