[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol

C15H23NO3 — CID 62734794

IUPAC[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1cc(C)c(CN2CCC[C@@H]2CO)cc1OC
InChIInChI=1S/C15H23NO3/c1-11-7-14(18-2)15(19-3)8-12(11)9-16-6-4-5-13(16)10-17/h7-8,13,17H,4-6,9-10H2,1-3H3/t13-/m1/s1
InChIKeyDETDZXFPZXSALF-CYBMUJFWSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds5

About [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62734794) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62734794
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1cc(C)c(CN2CCC[C@@H]2CO)cc1OC
InChIInChI=1S/C15H23NO3/c1-11-7-14(18-2)15(19-3)8-12(11)9-16-6-4-5-13(16)10-17/h7-8,13,17H,4-6,9-10H2,1-3H3/t13-/m1/s1
InChIKeyDETDZXFPZXSALF-CYBMUJFWSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
[(2S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 27267040
[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 44827911
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371929
[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol (CID 62734794) is [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol is COc1cc(C)c(CN2CCC[C@@H]2CO)cc1OC.
What is the InChIKey of [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is DETDZXFPZXSALF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-7-14(18-2)15(19-3)8-12(11)9-16-6-4-5-13(16)10-17/h7-8,13,17H,4-6,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62734794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).