2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol

C12H15ClFNO — CID 117361379

IUPAC2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
SMILESCc1cc(C2(C)CCCN2)c(F)c(O)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-7-6-8(10(14)11(16)9(7)13)12(2)4-3-5-15-12/h6,15-16H,3-5H2,1-2H3
InChIKeyIJKXMOGQYIPVLL-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.09
Rot. Bonds1

About 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol

2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117361379) 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-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117361379
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
SMILESCc1cc(C2(C)CCCN2)c(F)c(O)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-7-6-8(10(14)11(16)9(7)13)12(2)4-3-5-15-12/h6,15-16H,3-5H2,1-2H3
InChIKeyIJKXMOGQYIPVLL-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117372312
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
3-chloro-5-methyl-4-(2-methylpyrrolidin-2-yl)benzene-1,2-diol
CID 117356258
2-bromo-3,4-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117457129
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
CID 117301641
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol (CID 117361379) is 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol is Cc1cc(C2(C)CCCN2)c(F)c(O)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is IJKXMOGQYIPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7-6-8(10(14)11(16)9(7)13)12(2)4-3-5-15-12/h6,15-16H,3-5H2,1-2H3.
What are the key properties of 2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol?
2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 243.71 g/mol, XLogP of 3.09, 1 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-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117361379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).