6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C15H21FO2 — CID 114280270

IUPAC6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(OCCCCCF)ccc21
InChIInChI=1S/C15H21FO2/c16-9-2-1-3-10-18-13-7-8-14-12(11-13)5-4-6-15(14)17/h7-8,11,15,17H,1-6,9-10H2
InChIKeyWLTJABBFJCBXLN-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.57
Rot. Bonds6

About 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 114280270) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID114280270
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(OCCCCCF)ccc21
InChIInChI=1S/C15H21FO2/c16-9-2-1-3-10-18-13-7-8-14-12(11-13)5-4-6-15(14)17/h7-8,11,15,17H,1-6,9-10H2
InChIKeyWLTJABBFJCBXLN-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.57
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-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494445
5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684669
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494443
6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79698408
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
methyl 4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 107684768
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 114280270) is 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2cc(OCCCCCF)ccc21.
What is the InChIKey of 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is WLTJABBFJCBXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c16-9-2-1-3-10-18-13-7-8-14-12(11-13)5-4-6-15(14)17/h7-8,11,15,17H,1-6,9-10H2.
What are the key properties of 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 114280270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).