3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol

C12H16ClNO2 — CID 117356276

IUPAC3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
SMILESCOc1c(O)cc(C)c(C2CCNC2)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7-5-9(15)12(16-2)11(13)10(7)8-3-4-14-6-8/h5,8,14-15H,3-4,6H2,1-2H3
InChIKeyGWFWFNYJQLGDSD-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.44
Rot. Bonds2

About 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol

3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol (PubChem CID 117356276) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
PubChem CID117356276
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
SMILESCOc1c(O)cc(C)c(C2CCNC2)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7-5-9(15)12(16-2)11(13)10(7)8-3-4-14-6-8/h5,8,14-15H,3-4,6H2,1-2H3
InChIKeyGWFWFNYJQLGDSD-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
CID 84800158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol?
The IUPAC name of 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol (CID 117356276) is 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol.
What is the SMILES notation for 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol?
The canonical SMILES for 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol is COc1c(O)cc(C)c(C2CCNC2)c1Cl.
What is the InChIKey of 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol?
The InChIKey is GWFWFNYJQLGDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7-5-9(15)12(16-2)11(13)10(7)8-3-4-14-6-8/h5,8,14-15H,3-4,6H2,1-2H3.
What are the key properties of 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol?
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol has a molecular weight of 241.72 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol is sourced from PubChem (CID 117356276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).