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

C12H16ClNO2 — CID 84801195

IUPAC2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1ccc(CC2CCCN2)c(O)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-16-10-5-4-8(12(15)11(10)13)7-9-3-2-6-14-9/h4-5,9,14-15H,2-3,6-7H2,1H3
InChIKeyCJIOGQXPZHBMND-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.35
Rot. Bonds3

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

2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 84801195) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID84801195
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1ccc(CC2CCCN2)c(O)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-16-10-5-4-8(12(15)11(10)13)7-9-3-2-6-14-9/h4-5,9,14-15H,2-3,6-7H2,1H3
InChIKeyCJIOGQXPZHBMND-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol (CID 84801195) is 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol is COc1ccc(CC2CCCN2)c(O)c1Cl.
What is the InChIKey of 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is CJIOGQXPZHBMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-10-5-4-8(12(15)11(10)13)7-9-3-2-6-14-9/h4-5,9,14-15H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 241.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 84801195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).