9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane

C17H23ClO3 — CID 79899956

IUPAC9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
SMILESCOc1ccc(OC2CCOC3(CCCC3)C2)c(CCl)c1
InChIInChI=1S/C17H23ClO3/c1-19-14-4-5-16(13(10-14)12-18)21-15-6-9-20-17(11-15)7-2-3-8-17/h4-5,10,15H,2-3,6-9,11-12H2,1H3
InChIKeyMVGPGYXWULPBBI-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.30
Rot. Bonds4

About 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane

9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane (PubChem CID 79899956) has the molecular formula C17H23ClO3 and a molecular weight of 310.82 g/mol. Its IUPAC name is 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
PubChem CID79899956
Molecular FormulaC17H23ClO3
Molecular Weight310.82 g/mol
Exact Mass310.13
IUPAC Name9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
SMILESCOc1ccc(OC2CCOC3(CCCC3)C2)c(CCl)c1
InChIInChI=1S/C17H23ClO3/c1-19-14-4-5-16(13(10-14)12-18)21-15-6-9-20-17(11-15)7-2-3-8-17/h4-5,10,15H,2-3,6-9,11-12H2,1H3
InChIKeyMVGPGYXWULPBBI-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
9-[4-bromo-2-(chloromethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894152
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
potassium trifluoro-[5-methoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 113443480
8-[2-(chloromethyl)-4-nitrophenoxy]-5-oxaspiro[3.5]nonane
CID 79899966
1-[5-fluoro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]-N-methylmethanamine
CID 107695140
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039

Frequently Asked Questions

What is the IUPAC name of 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane?
The IUPAC name of 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane (CID 79899956) is 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane is COc1ccc(OC2CCOC3(CCCC3)C2)c(CCl)c1.
What is the InChIKey of 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane?
The InChIKey is MVGPGYXWULPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO3/c1-19-14-4-5-16(13(10-14)12-18)21-15-6-9-20-17(11-15)7-2-3-8-17/h4-5,10,15H,2-3,6-9,11-12H2,1H3.
What are the key properties of 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane?
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane has a molecular weight of 310.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane is sourced from PubChem (CID 79899956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).