4,7-dibutyl-2,3-dihydroinden-1-one

C17H24O — CID 100968406

IUPAC4,7-dibutyl-2,3-dihydroinden-1-one
SMILESCCCCc1ccc(CCCC)c2c1CCC2=O
InChIInChI=1S/C17H24O/c1-3-5-7-13-9-10-14(8-6-4-2)17-15(13)11-12-16(17)18/h9-10H,3-8,11-12H2,1-2H3
InChIKeyRQFUQXHMTBLUGY-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.50
Rot. Bonds6

About 4,7-dibutyl-2,3-dihydroinden-1-one

4,7-dibutyl-2,3-dihydroinden-1-one (PubChem CID 100968406) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,7-dibutyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,7-dibutyl-2,3-dihydroinden-1-one
PubChem CID100968406
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name4,7-dibutyl-2,3-dihydroinden-1-one
SMILESCCCCc1ccc(CCCC)c2c1CCC2=O
InChIInChI=1S/C17H24O/c1-3-5-7-13-9-10-14(8-6-4-2)17-15(13)11-12-16(17)18/h9-10H,3-8,11-12H2,1-2H3
InChIKeyRQFUQXHMTBLUGY-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 144788909
phenyl 2-[(7-decyl-3-oxo-1,2-dihydroinden-4-yl)amino]-2-oxoacetate
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CID 58304350
4-butyl-5-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 57311955
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1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
5-butyl-4-methyl-2,3-dihydro-1H-indene
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Frequently Asked Questions

What is the IUPAC name of 4,7-dibutyl-2,3-dihydroinden-1-one?
The IUPAC name of 4,7-dibutyl-2,3-dihydroinden-1-one (CID 100968406) is 4,7-dibutyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,7-dibutyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4,7-dibutyl-2,3-dihydroinden-1-one is CCCCc1ccc(CCCC)c2c1CCC2=O.
What is the InChIKey of 4,7-dibutyl-2,3-dihydroinden-1-one?
The InChIKey is RQFUQXHMTBLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-5-7-13-9-10-14(8-6-4-2)17-15(13)11-12-16(17)18/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of 4,7-dibutyl-2,3-dihydroinden-1-one?
4,7-dibutyl-2,3-dihydroinden-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibutyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 100968406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).