2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol

C15H23NO3 — CID 82981169

IUPAC2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCOCC1CCN(C(C)c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C15H23NO3/c1-11(16-7-6-12(9-16)10-18-2)13-4-5-14(17)15(8-13)19-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyOTTICWRKXPBOGX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds5

About 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol

2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol (PubChem CID 82981169) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
PubChem CID82981169
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCOCC1CCN(C(C)c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C15H23NO3/c1-11(16-7-6-12(9-16)10-18-2)13-4-5-14(17)15(8-13)19-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyOTTICWRKXPBOGX-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

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Related Compounds

2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
CID 82957217
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82966022
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
CID 82983373
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol (CID 82981169) is 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol is COCC1CCN(C(C)c2ccc(O)c(OC)c2)C1.
What is the InChIKey of 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
The InChIKey is OTTICWRKXPBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-7-6-12(9-16)10-18-2)13-4-5-14(17)15(8-13)19-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol?
2-methoxy-4-[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 2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol is sourced from PubChem (CID 82981169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).