5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol

C13H19NO2 — CID 84787982

IUPAC5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
SMILESCOc1cc(O)c(CC2CCNC2)cc1C
InChIInChI=1S/C13H19NO2/c1-9-5-11(6-10-3-4-14-8-10)12(15)7-13(9)16-2/h5,7,10,14-15H,3-4,6,8H2,1-2H3
InChIKeySMULKVAKRKMIKB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds3

About 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol

5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol (PubChem CID 84787982) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
PubChem CID84787982
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
SMILESCOc1cc(O)c(CC2CCNC2)cc1C
InChIInChI=1S/C13H19NO2/c1-9-5-11(6-10-3-4-14-8-10)12(15)7-13(9)16-2/h5,7,10,14-15H,3-4,6,8H2,1-2H3
InChIKeySMULKVAKRKMIKB-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
3-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 84802159
2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid
CID 117417246
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol?
The IUPAC name of 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol (CID 84787982) is 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol.
What is the SMILES notation for 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol?
The canonical SMILES for 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol is COc1cc(O)c(CC2CCNC2)cc1C.
What is the InChIKey of 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol?
The InChIKey is SMULKVAKRKMIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-11(6-10-3-4-14-8-10)12(15)7-13(9)16-2/h5,7,10,14-15H,3-4,6,8H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol?
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol is sourced from PubChem (CID 84787982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).