5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one

C23H26O — CID 144788909

IUPAC5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one
SMILESC=C(C)c1ccc(C)c(-c2c(CCCC)ccc3c2CCC3=O)c1
InChIInChI=1S/C23H26O/c1-5-6-7-17-10-11-19-20(12-13-22(19)24)23(17)21-14-18(15(2)3)9-8-16(21)4/h8-11,14H,2,5-7,12-13H2,1,3-4H3
InChIKeyHJIJYNSDCPVNFM-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.17
Rot. Bonds5

About 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one

5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one (PubChem CID 144788909) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one
PubChem CID144788909
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one
SMILESC=C(C)c1ccc(C)c(-c2c(CCCC)ccc3c2CCC3=O)c1
InChIInChI=1S/C23H26O/c1-5-6-7-17-10-11-19-20(12-13-22(19)24)23(17)21-14-18(15(2)3)9-8-16(21)4/h8-11,14H,2,5-7,12-13H2,1,3-4H3
InChIKeyHJIJYNSDCPVNFM-UHFFFAOYSA-N
XLogP6.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,7-dibutyl-2,3-dihydroinden-1-one
CID 100968406
4-(5-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-5-(4-ethylhexyl)-2,3-dihydroinden-1-one
CID 144788638
4-(5-acetyl-2-methylthiophen-3-yl)-5-(4-ethylhexyl)-2,3-dihydroinden-1-one
CID 144788885
4-butyl-5-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 57311955
butane;1-butyl-2-methyl-4-prop-1-en-2-ylbenzene;2,4-dimethyl-1-prop-1-en-2-ylcyclopenta-1,3-diene;ethane;2-methylhex-1-ene;pentane;1,2-xylene
CID 144513808
4-ethyl-7-methyl-2,3-dihydroinden-1-one
CID 18720358
2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone;4-chloro-1,2-dimethylbenzene
CID 144809261
2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 144809262
1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
CID 162722129
2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane
CID 143032513
2-cyclopenta-1,3-dien-1-yl-1-methyl-4-prop-1-en-2-ylbenzene
CID 144513942
1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
CID 144513780

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one (CID 144788909) is 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one is C=C(C)c1ccc(C)c(-c2c(CCCC)ccc3c2CCC3=O)c1.
What is the InChIKey of 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one?
The InChIKey is HJIJYNSDCPVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-5-6-7-17-10-11-19-20(12-13-22(19)24)23(17)21-14-18(15(2)3)9-8-16(21)4/h8-11,14H,2,5-7,12-13H2,1,3-4H3.
What are the key properties of 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one?
5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one has a molecular weight of 318.46 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 144788909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).