1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one

C15H17ClO2 — CID 66368883

IUPAC1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one
SMILESCc1ccc(Cl)c(OC2CC(=O)C23CCCC3)c1
InChIInChI=1S/C15H17ClO2/c1-10-4-5-11(16)12(8-10)18-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyJOPANDGXHJBTGA-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.93
Rot. Bonds2

About 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one

1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one (PubChem CID 66368883) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one
PubChem CID66368883
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one
SMILESCc1ccc(Cl)c(OC2CC(=O)C23CCCC3)c1
InChIInChI=1S/C15H17ClO2/c1-10-4-5-11(16)12(8-10)18-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyJOPANDGXHJBTGA-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenoxy)spiro[3.5]nonan-3-one
CID 66369239
3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66368885
1-(4-bromo-2,5-dichlorophenoxy)spiro[3.4]octan-3-one
CID 107662241
3-bromo-1-(2-chloro-5-methylphenoxy)spiro[3.5]nonane
CID 66345352
1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one
CID 66367866
1-(4-bromo-3-methylphenoxy)spiro[3.4]octan-3-one
CID 83134532
1-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-3-one
CID 114677185
1-phenoxyspiro[3.5]nonan-3-one
CID 66368840
1-[(6-methyl-2-nitro-3-pyridinyl)oxy]spiro[3.4]octan-3-one
CID 66368488
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octan-3-one
CID 66369238
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one
CID 66366370
1-(2,6-difluorophenoxy)spiro[3.4]octan-3-one
CID 81267991

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one?
The IUPAC name of 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one (CID 66368883) is 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one.
What is the SMILES notation for 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one?
The canonical SMILES for 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one is Cc1ccc(Cl)c(OC2CC(=O)C23CCCC3)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one?
The InChIKey is JOPANDGXHJBTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-10-4-5-11(16)12(8-10)18-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,14H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one?
1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one has a molecular weight of 264.75 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one is sourced from PubChem (CID 66368883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).