[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

C21H27NO3 — CID 72843261

IUPAC[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCOc1cccc(CN2CCC(Cc3cccc(CO)c3)C2)c1OC
InChIInChI=1S/C21H27NO3/c1-24-20-8-4-7-19(21(20)25-2)14-22-10-9-17(13-22)11-16-5-3-6-18(12-16)15-23/h3-8,12,17,23H,9-11,13-15H2,1-2H3
InChIKeyAHZWNRUFWYFCEV-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.26
Rot. Bonds7

About [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 72843261) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID72843261
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCOc1cccc(CN2CCC(Cc3cccc(CO)c3)C2)c1OC
InChIInChI=1S/C21H27NO3/c1-24-20-8-4-7-19(21(20)25-2)14-22-10-9-17(13-22)11-16-5-3-6-18(12-16)15-23/h3-8,12,17,23H,9-11,13-15H2,1-2H3
InChIKeyAHZWNRUFWYFCEV-UHFFFAOYSA-N
XLogP3.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97143774
[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97147227
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
[4-[[(3R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97115646
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol
CID 111442612
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97124598
3-(bromomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 104794921
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-4-methylphenol
CID 2491619

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (CID 72843261) is [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is COc1cccc(CN2CCC(Cc3cccc(CO)c3)C2)c1OC.
What is the InChIKey of [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is AHZWNRUFWYFCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-24-20-8-4-7-19(21(20)25-2)14-22-10-9-17(13-22)11-16-5-3-6-18(12-16)15-23/h3-8,12,17,23H,9-11,13-15H2,1-2H3.
What are the key properties of [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 341.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 72843261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).