5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol

C13H18ClNO3 — CID 117432090

IUPAC5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(Cl)c(CC2CCCN2)c(O)c1OC
InChIInChI=1S/C13H18ClNO3/c1-17-11-7-10(14)9(12(16)13(11)18-2)6-8-4-3-5-15-8/h7-8,15-16H,3-6H2,1-2H3
InChIKeyOALVBTYTELTCAG-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.36
Rot. Bonds4

About 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol

5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117432090) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117432090
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(Cl)c(CC2CCCN2)c(O)c1OC
InChIInChI=1S/C13H18ClNO3/c1-17-11-7-10(14)9(12(16)13(11)18-2)6-8-4-3-5-15-8/h7-8,15-16H,3-6H2,1-2H3
InChIKeyOALVBTYTELTCAG-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
CID 117479585
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol (CID 117432090) is 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol is COc1cc(Cl)c(CC2CCCN2)c(O)c1OC.
What is the InChIKey of 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is OALVBTYTELTCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-17-11-7-10(14)9(12(16)13(11)18-2)6-8-4-3-5-15-8/h7-8,15-16H,3-6H2,1-2H3.
What are the key properties of 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 271.74 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117432090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).