5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol

C15H23NO3 — CID 82980447

IUPAC5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCOCC1CCN(C(C)c2ccc(OC)cc2O)C1
InChIInChI=1S/C15H23NO3/c1-11(16-7-6-12(9-16)10-18-2)14-5-4-13(19-3)8-15(14)17/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyPDOQTXNGJFVXIS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds5

About 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol

5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol (PubChem CID 82980447) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
PubChem CID82980447
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCOCC1CCN(C(C)c2ccc(OC)cc2O)C1
InChIInChI=1S/C15H23NO3/c1-11(16-7-6-12(9-16)10-18-2)14-5-4-13(19-3)8-15(14)17/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyPDOQTXNGJFVXIS-UHFFFAOYSA-N
XLogP2.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978518
1-[1-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066170

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol (CID 82980447) is 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol is COCC1CCN(C(C)c2ccc(OC)cc2O)C1.
What is the InChIKey of 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
The InChIKey is PDOQTXNGJFVXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-7-6-12(9-16)10-18-2)14-5-4-13(19-3)8-15(14)17/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol is sourced from PubChem (CID 82980447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).