(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone

C20H20O — CID 116505629

IUPAC(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H20O/c21-20(19-13-12-16-4-1-2-7-18(16)19)17-10-8-15(9-11-17)14-5-3-6-14/h1-2,4,7-11,14,19H,3,5-6,12-13H2
InChIKeySFXLNTBWSYUJCP-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.87
Rot. Bonds3

About (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone

(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone (PubChem CID 116505629) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone
PubChem CID116505629
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H20O/c21-20(19-13-12-16-4-1-2-7-18(16)19)17-10-8-15(9-11-17)14-5-3-6-14/h1-2,4,7-11,14,19H,3,5-6,12-13H2
InChIKeySFXLNTBWSYUJCP-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560
(4-cyclobutylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107004039
(3-bromofuran-2-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 65406476
2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone
CID 79991196
2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone
CID 65407814
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 62718081

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone (CID 116505629) is (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone is O=C(c1ccc(C2CCC2)cc1)C1CCc2ccccc21.
What is the InChIKey of (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone?
The InChIKey is SFXLNTBWSYUJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c21-20(19-13-12-16-4-1-2-7-18(16)19)17-10-8-15(9-11-17)14-5-3-6-14/h1-2,4,7-11,14,19H,3,5-6,12-13H2.
What are the key properties of (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone?
(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone is sourced from PubChem (CID 116505629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).