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

C12H16ClNO — CID 84790581

IUPAC2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
SMILESCc1ccc(CC2CCNC2)c(O)c1Cl
InChIInChI=1S/C12H16ClNO/c1-8-2-3-10(12(15)11(8)13)6-9-4-5-14-7-9/h2-3,9,14-15H,4-7H2,1H3
InChIKeyXEAQUHIXRNDXBX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.51
Rot. Bonds2

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

2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol (PubChem CID 84790581) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
PubChem CID84790581
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
SMILESCc1ccc(CC2CCNC2)c(O)c1Cl
InChIInChI=1S/C12H16ClNO/c1-8-2-3-10(12(15)11(8)13)6-9-4-5-14-7-9/h2-3,9,14-15H,4-7H2,1H3
InChIKeyXEAQUHIXRNDXBX-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
CID 84791855
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659
2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
5-bromo-3-(pyrrolidin-3-ylmethyl)benzene-1,2-diol
CID 84809503
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol?
The IUPAC name of 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol (CID 84790581) is 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol?
The canonical SMILES for 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol is Cc1ccc(CC2CCNC2)c(O)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol?
The InChIKey is XEAQUHIXRNDXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-2-3-10(12(15)11(8)13)6-9-4-5-14-7-9/h2-3,9,14-15H,4-7H2,1H3.
What are the key properties of 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol?
2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol has a molecular weight of 225.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol is sourced from PubChem (CID 84790581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).