3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol

C12H16ClNO2 — CID 117356265

IUPAC3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCOc1ccc(Cl)c(C2(C)CCCN2)c1O
InChIInChI=1S/C12H16ClNO2/c1-12(6-3-7-14-12)10-8(13)4-5-9(16-2)11(10)15/h4-5,14-15H,3,6-7H2,1-2H3
InChIKeyQMVQDPKZRLPNAB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.65
Rot. Bonds2

About 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol

3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117356265) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117356265
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCOc1ccc(Cl)c(C2(C)CCCN2)c1O
InChIInChI=1S/C12H16ClNO2/c1-12(6-3-7-14-12)10-8(13)4-5-9(16-2)11(10)15/h4-5,14-15H,3,6-7H2,1-2H3
InChIKeyQMVQDPKZRLPNAB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
3-chloro-2-(1-hydroxycyclopropyl)-6-methoxyphenol
CID 117305910
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
CID 117425251
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol
CID 117347875
3-chloro-5-methyl-4-(2-methylpyrrolidin-2-yl)benzene-1,2-diol
CID 117356258

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol (CID 117356265) is 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol is COc1ccc(Cl)c(C2(C)CCCN2)c1O.
What is the InChIKey of 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is QMVQDPKZRLPNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(6-3-7-14-12)10-8(13)4-5-9(16-2)11(10)15/h4-5,14-15H,3,6-7H2,1-2H3.
What are the key properties of 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol?
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 241.72 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117356265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).