5-octoxy-2,3-dihydro-1H-inden-1-ol

C17H26O2 — CID 107684624

IUPAC5-octoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCCCCCCCOc1ccc2c(c1)CCC2O
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-12-19-15-9-10-16-14(13-15)8-11-17(16)18/h9-10,13,17-18H,2-8,11-12H2,1H3
InChIKeyRDILKYABSDPQIH-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.41
Rot. Bonds8

About 5-octoxy-2,3-dihydro-1H-inden-1-ol

5-octoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684624) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-octoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-octoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID107684624
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name5-octoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCCCCCCCOc1ccc2c(c1)CCC2O
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-12-19-15-9-10-16-14(13-15)8-11-17(16)18/h9-10,13,17-18H,2-8,11-12H2,1H3
InChIKeyRDILKYABSDPQIH-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
8-butoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
CID 130306818
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
methyl 4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 107684768
6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114280270
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316
5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684669
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782

Frequently Asked Questions

What is the IUPAC name of 5-octoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-octoxy-2,3-dihydro-1H-inden-1-ol (CID 107684624) is 5-octoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-octoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-octoxy-2,3-dihydro-1H-inden-1-ol is CCCCCCCCOc1ccc2c(c1)CCC2O.
What is the InChIKey of 5-octoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is RDILKYABSDPQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-7-12-19-15-9-10-16-14(13-15)8-11-17(16)18/h9-10,13,17-18H,2-8,11-12H2,1H3.
What are the key properties of 5-octoxy-2,3-dihydro-1H-inden-1-ol?
5-octoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).