3-chloro-5-methyl-2-pyrrolidin-2-ylphenol

C11H14ClNO — CID 84782063

IUPAC3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
SMILESCc1cc(O)c(C2CCCN2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-5-8(12)11(10(14)6-7)9-3-2-4-13-9/h5-6,9,13-14H,2-4H2,1H3
InChIKeyJAQUVOKTTMGSQG-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.78
Rot. Bonds1

About 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol

3-chloro-5-methyl-2-pyrrolidin-2-ylphenol (PubChem CID 84782063) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
PubChem CID84782063
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
SMILESCc1cc(O)c(C2CCCN2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-5-8(12)11(10(14)6-7)9-3-2-4-13-9/h5-6,9,13-14H,2-4H2,1H3
InChIKeyJAQUVOKTTMGSQG-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'}

Analyze 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196064
3-bromo-5-methyl-2-piperidin-2-ylphenol
CID 84808995
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84782064
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol?
The IUPAC name of 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol (CID 84782063) is 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol.
What is the SMILES notation for 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol?
The canonical SMILES for 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol is Cc1cc(O)c(C2CCCN2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol?
The InChIKey is JAQUVOKTTMGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-8(12)11(10(14)6-7)9-3-2-4-13-9/h5-6,9,13-14H,2-4H2,1H3.
What are the key properties of 3-chloro-5-methyl-2-pyrrolidin-2-ylphenol?
3-chloro-5-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-5-methyl-2-pyrrolidin-2-ylphenol is sourced from PubChem (CID 84782063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).