3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol

C15H20O4 — CID 107680307

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol
SMILESCc1cc(O)cc(OC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H20O4/c1-11-6-12(16)8-14(7-11)19-13-2-4-18-15(9-13)3-5-17-10-15/h6-8,13,16H,2-5,9-10H2,1H3
InChIKeyNQXBBIYQFLDRFP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.42
Rot. Bonds2

About 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol

3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol (PubChem CID 107680307) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol
PubChem CID107680307
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol
SMILESCc1cc(O)cc(OC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H20O4/c1-11-6-12(16)8-14(7-11)19-13-2-4-18-15(9-13)3-5-17-10-15/h6-8,13,16H,2-5,9-10H2,1H3
InChIKeyNQXBBIYQFLDRFP-UHFFFAOYSA-N
XLogP2.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde
CID 79901924
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
CID 79904569
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
CID 107675399
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol (CID 107680307) is 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol is Cc1cc(O)cc(OC2CCOC3(CCOC3)C2)c1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol?
The InChIKey is NQXBBIYQFLDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11-6-12(16)8-14(7-11)19-13-2-4-18-15(9-13)3-5-17-10-15/h6-8,13,16H,2-5,9-10H2,1H3.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol?
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol has a molecular weight of 264.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol is sourced from PubChem (CID 107680307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).