4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol

C13H18ClNO2 — CID 117392681

IUPAC4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(C)c(Cl)cc(CC2CCCN2)c1O
InChIInChI=1S/C13H18ClNO2/c1-8-11(14)7-9(12(16)13(8)17-2)6-10-4-3-5-15-10/h7,10,15-16H,3-6H2,1-2H3
InChIKeyJHADGNGOKUVLLA-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.66
Rot. Bonds3

About 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol

4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117392681) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117392681
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(C)c(Cl)cc(CC2CCCN2)c1O
InChIInChI=1S/C13H18ClNO2/c1-8-11(14)7-9(12(16)13(8)17-2)6-10-4-3-5-15-10/h7,10,15-16H,3-6H2,1-2H3
InChIKeyJHADGNGOKUVLLA-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-methoxy-3,4-dimethyl-5-(piperidin-2-ylmethyl)phenol
CID 117377144
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol (CID 117392681) is 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol is COc1c(C)c(Cl)cc(CC2CCCN2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is JHADGNGOKUVLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-11(14)7-9(12(16)13(8)17-2)6-10-4-3-5-15-10/h7,10,15-16H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 255.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117392681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).