8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

C15H19FO4 — CID 82770535

IUPAC8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(F)cc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19FO4/c1-18-13-3-2-11(16)10-12(13)14(17)4-6-15(7-5-14)19-8-9-20-15/h2-3,10,17H,4-9H2,1H3
InChIKeyLSKGOKOCQURMFE-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.34
Rot. Bonds2

About 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 82770535) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID82770535
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(F)cc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19FO4/c1-18-13-3-2-11(16)10-12(13)14(17)4-6-15(7-5-14)19-8-9-20-15/h2-3,10,17H,4-9H2,1H3
InChIKeyLSKGOKOCQURMFE-UHFFFAOYSA-N
XLogP2.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol
CID 82770391
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
8-(5-bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79743512
3-(5-fluoro-2-methoxyphenyl)-4,4-dimethylthian-3-ol
CID 82770394
4-(chloromethyl)-4-(5-fluoro-2-methoxyphenyl)oxane
CID 82089670
1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 82770535) is 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is COc1ccc(F)cc1C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LSKGOKOCQURMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-18-13-3-2-11(16)10-12(13)14(17)4-6-15(7-5-14)19-8-9-20-15/h2-3,10,17H,4-9H2,1H3.
What are the key properties of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 282.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 82770535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).