3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane

C18H25ClO2 — CID 66345392

IUPAC3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
SMILESCOCc1cccc(OC2CC(Cl)C23CCCCCC3)c1
InChIInChI=1S/C18H25ClO2/c1-20-13-14-7-6-8-15(11-14)21-17-12-16(19)18(17)9-4-2-3-5-10-18/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3
InChIKeySIYUSMONYPIIEW-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.93
Rot. Bonds4

About 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane

3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane (PubChem CID 66345392) has the molecular formula C18H25ClO2 and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane.

Molecular Properties

Compound Name3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
PubChem CID66345392
Molecular FormulaC18H25ClO2
Molecular Weight308.85 g/mol
Exact Mass308.15
IUPAC Name3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
SMILESCOCc1cccc(OC2CC(Cl)C23CCCCCC3)c1
InChIInChI=1S/C18H25ClO2/c1-20-13-14-7-6-8-15(11-14)21-17-12-16(19)18(17)9-4-2-3-5-10-18/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3
InChIKeySIYUSMONYPIIEW-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
CID 66344743
3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
CID 66344419
1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
CID 66345395
1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
CID 66369109
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
3-(3-ethylphenoxy)spiro[3.4]octan-1-amine
CID 66358408
N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66359016
1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene
CID 104674108
1-(4-tert-butylphenoxy)-3-chlorospiro[3.5]nonane
CID 66345050
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469
3-chloro-1-(4-iodophenoxy)spiro[3.5]nonane
CID 66343866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane?
The IUPAC name of 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane (CID 66345392) is 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane.
What is the SMILES notation for 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane?
The canonical SMILES for 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane is COCc1cccc(OC2CC(Cl)C23CCCCCC3)c1.
What is the InChIKey of 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane?
The InChIKey is SIYUSMONYPIIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO2/c1-20-13-14-7-6-8-15(11-14)21-17-12-16(19)18(17)9-4-2-3-5-10-18/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3.
What are the key properties of 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane?
3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane has a molecular weight of 308.85 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane is sourced from PubChem (CID 66345392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).