2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol

C12H15ClFNO — CID 117361291

IUPAC2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(CC2CCCN2)c(F)c(O)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-7-5-8(6-9-3-2-4-15-9)11(14)12(16)10(7)13/h5,9,15-16H,2-4,6H2,1H3
InChIKeyJQFYYIFALXXMMA-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.79
Rot. Bonds2

About 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol

2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117361291) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117361291
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(CC2CCCN2)c(F)c(O)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-7-5-8(6-9-3-2-4-15-9)11(14)12(16)10(7)13/h5,9,15-16H,2-4,6H2,1H3
InChIKeyJQFYYIFALXXMMA-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol 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-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 117382930
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol (CID 117361291) is 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol is Cc1cc(CC2CCCN2)c(F)c(O)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is JQFYYIFALXXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7-5-8(6-9-3-2-4-15-9)11(14)12(16)10(7)13/h5,9,15-16H,2-4,6H2,1H3.
What are the key properties of 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol?
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 243.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117361291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).