9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane

C15H19FO3 — CID 107171386

IUPAC9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCOC3)C2)cc1F
InChIInChI=1S/C15H19FO3/c1-11-2-3-12(8-14(11)16)19-13-4-6-18-15(9-13)5-7-17-10-15/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyNNEGLRSMODVQLO-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.85
Rot. Bonds2

About 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane

9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane (PubChem CID 107171386) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
PubChem CID107171386
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCOC3)C2)cc1F
InChIInChI=1S/C15H19FO3/c1-11-2-3-12(8-14(11)16)19-13-4-6-18-15(9-13)5-7-17-10-15/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyNNEGLRSMODVQLO-UHFFFAOYSA-N
XLogP2.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane with MolForge

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Related Compounds

9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
CID 107675399
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol
CID 107680307
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
2-chloro-4-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzonitrile
CID 102724034
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde
CID 79901924
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane (CID 107171386) is 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane is Cc1ccc(OC2CCOC3(CCOC3)C2)cc1F.
What is the InChIKey of 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
The InChIKey is NNEGLRSMODVQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-11-2-3-12(8-14(11)16)19-13-4-6-18-15(9-13)5-7-17-10-15/h2-3,8,13H,4-7,9-10H2,1H3.
What are the key properties of 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane has a molecular weight of 266.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 107171386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).