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

C15H20O3 — CID 79922926

IUPAC9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C15H20O3/c1-12-2-4-13(5-3-12)18-14-6-8-17-15(10-14)7-9-16-11-15/h2-5,14H,6-11H2,1H3
InChIKeyDCCKXCHBYWTTSL-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.71
Rot. Bonds2

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

9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane (PubChem CID 79922926) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
PubChem CID79922926
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C15H20O3/c1-12-2-4-13(5-3-12)18-14-6-8-17-15(10-14)7-9-16-11-15/h2-5,14H,6-11H2,1H3
InChIKeyDCCKXCHBYWTTSL-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol
CID 107680307
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide
CID 79902475
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
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

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane (CID 79922926) is 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane is Cc1ccc(OC2CCOC3(CCOC3)C2)cc1.
What is the InChIKey of 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
The InChIKey is DCCKXCHBYWTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12-2-4-13(5-3-12)18-14-6-8-17-15(10-14)7-9-16-11-15/h2-5,14H,6-11H2,1H3.
What are the key properties of 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane?
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane has a molecular weight of 248.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 79922926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).