[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

C21H27NO3 — CID 97143774

IUPAC[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCOc1cccc(OC)c1CN1CC[C@@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C21H27NO3/c1-24-20-4-3-5-21(25-2)19(20)14-22-11-10-18(13-22)12-16-6-8-17(15-23)9-7-16/h3-9,18,23H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyMWVJIZTZNGFEJU-SFHVURJKSA-N
MW341.45 g/mol
LogP3.26
Rot. Bonds7

About [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 97143774) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID97143774
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCOc1cccc(OC)c1CN1CC[C@@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C21H27NO3/c1-24-20-4-3-5-21(25-2)19(20)14-22-11-10-18(13-22)12-16-6-8-17(15-23)9-7-16/h3-9,18,23H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyMWVJIZTZNGFEJU-SFHVURJKSA-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 [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72843261
[4-[[(3R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97115646
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
4-[[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95861526
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 113356734
N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 103292689
2-(3,4-dimethoxyphenyl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72891430
[4-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97152240
[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97147227
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (CID 97143774) is [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is COc1cccc(OC)c1CN1CC[C@@H](Cc2ccc(CO)cc2)C1.
What is the InChIKey of [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is MWVJIZTZNGFEJU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27NO3/c1-24-20-4-3-5-21(25-2)19(20)14-22-11-10-18(13-22)12-16-6-8-17(15-23)9-7-16/h3-9,18,23H,10-15H2,1-2H3/t18-/m0/s1.
What are the key properties of [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[(3R)-1-[(2,6-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 [4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 97143774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).