1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol

C13H19NO2 — CID 123223868

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol
SMILESCOc1ccc(CN2CCCC2O)cc1C
InChIInChI=1S/C13H19NO2/c1-10-8-11(5-6-12(10)16-2)9-14-7-3-4-13(14)15/h5-6,8,13,15H,3-4,7,9H2,1-2H3
InChIKeyCDOVAGKELTUFHT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds3

About 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol

1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol (PubChem CID 123223868) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol
PubChem CID123223868
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol
SMILESCOc1ccc(CN2CCCC2O)cc1C
InChIInChI=1S/C13H19NO2/c1-10-8-11(5-6-12(10)16-2)9-14-7-3-4-13(14)15/h5-6,8,13,15H,3-4,7,9H2,1-2H3
InChIKeyCDOVAGKELTUFHT-UHFFFAOYSA-N
XLogP1.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine
CID 82291366
(2S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038785
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethylpyrrolidine
CID 54971394
methyl 1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 55211640
2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067754

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol (CID 123223868) is 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol is COc1ccc(CN2CCCC2O)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol?
The InChIKey is CDOVAGKELTUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-8-11(5-6-12(10)16-2)9-14-7-3-4-13(14)15/h5-6,8,13,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol?
1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol is sourced from PubChem (CID 123223868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).