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

C12H16ClNO2 — CID 117356192

IUPAC6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(CC2CCCN2)ccc(Cl)c1O
InChIInChI=1S/C12H16ClNO2/c1-16-12-8(4-5-10(13)11(12)15)7-9-3-2-6-14-9/h4-5,9,14-15H,2-3,6-7H2,1H3
InChIKeyMAAFBUISMGRTLP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.35
Rot. Bonds3

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

6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117356192) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117356192
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(CC2CCCN2)ccc(Cl)c1O
InChIInChI=1S/C12H16ClNO2/c1-16-12-8(4-5-10(13)11(12)15)7-9-3-2-6-14-9/h4-5,9,14-15H,2-3,6-7H2,1H3
InChIKeyMAAFBUISMGRTLP-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

4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387667
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol (CID 117356192) is 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol is COc1c(CC2CCCN2)ccc(Cl)c1O.
What is the InChIKey of 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is MAAFBUISMGRTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-12-8(4-5-10(13)11(12)15)7-9-3-2-6-14-9/h4-5,9,14-15H,2-3,6-7H2,1H3.
What are the key properties of 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol?
6-chloro-2-methoxy-3-(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 6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117356192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).