4,6-dibutyl-2,3-dihydro-1H-inden-5-ol

C17H26O — CID 154132660

IUPAC4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCCc1cc2c(c(CCCC)c1O)CCC2
InChIInChI=1S/C17H26O/c1-3-5-8-14-12-13-9-7-11-15(13)16(17(14)18)10-6-4-2/h12,18H,3-11H2,1-2H3
InChIKeyQXLZUVGBISGSEK-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.57
Rot. Bonds6

About 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol

4,6-dibutyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 154132660) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
PubChem CID154132660
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCCc1cc2c(c(CCCC)c1O)CCC2
InChIInChI=1S/C17H26O/c1-3-5-8-14-12-13-9-7-11-15(13)16(17(14)18)10-6-4-2/h12,18H,3-11H2,1-2H3
InChIKeyQXLZUVGBISGSEK-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-deuterio-6-hexyl-5-methyl-2,3-dihydro-1H-indene
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3-[(dibutylamino)methyl]-1-[3-[(dibutylamino)methyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol (CID 154132660) is 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol is CCCCc1cc2c(c(CCCC)c1O)CCC2.
What is the InChIKey of 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is QXLZUVGBISGSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-8-14-12-13-9-7-11-15(13)16(17(14)18)10-6-4-2/h12,18H,3-11H2,1-2H3.
What are the key properties of 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol?
4,6-dibutyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 246.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibutyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 154132660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).