3-chloro-4-methyl-2-pyrrolidin-2-ylphenol

C11H14ClNO — CID 84782064

IUPAC3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
SMILESCc1ccc(O)c(C2CCCN2)c1Cl
InChIInChI=1S/C11H14ClNO/c1-7-4-5-9(14)10(11(7)12)8-3-2-6-13-8/h4-5,8,13-14H,2-3,6H2,1H3
InChIKeyGUILGXMQXIOGLL-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.78
Rot. Bonds1

About 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol

3-chloro-4-methyl-2-pyrrolidin-2-ylphenol (PubChem CID 84782064) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
PubChem CID84782064
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
SMILESCc1ccc(O)c(C2CCCN2)c1Cl
InChIInChI=1S/C11H14ClNO/c1-7-4-5-9(14)10(11(7)12)8-3-2-6-13-8/h4-5,8,13-14H,2-3,6H2,1H3
InChIKeyGUILGXMQXIOGLL-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84684983
3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
2-hydroxy-4-methyl-3-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519490
(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol?
The IUPAC name of 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol (CID 84782064) is 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol.
What is the SMILES notation for 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol?
The canonical SMILES for 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol is Cc1ccc(O)c(C2CCCN2)c1Cl.
What is the InChIKey of 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol?
The InChIKey is GUILGXMQXIOGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-4-5-9(14)10(11(7)12)8-3-2-6-13-8/h4-5,8,13-14H,2-3,6H2,1H3.
What are the key properties of 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol?
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol has a molecular weight of 211.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-2-pyrrolidin-2-ylphenol is sourced from PubChem (CID 84782064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).