(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol

C31H31NO2 — CID 177412112

IUPAC(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(C(O)[C@@H]2CCCN2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H31NO2/c1-34-28-21-19-24(20-22-28)30(33)29-18-11-23-32(29)31(25-12-5-2-6-13-25,26-14-7-3-8-15-26)27-16-9-4-10-17-27/h2-10,12-17,19-22,29-30,33H,11,18,23H2,1H3/t29-,30?/m0/s1
InChIKeyPZSIQTVDXWFRBT-UFXYQILXSA-N
MW449.59 g/mol
LogP6.19
Rot. Bonds7

About (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol

(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol (PubChem CID 177412112) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol
PubChem CID177412112
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(C(O)[C@@H]2CCCN2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H31NO2/c1-34-28-21-19-24(20-22-28)30(33)29-18-11-23-32(29)31(25-12-5-2-6-13-25,26-14-7-3-8-15-26)27-16-9-4-10-17-27/h2-10,12-17,19-22,29-30,33H,11,18,23H2,1H3/t29-,30?/m0/s1
InChIKeyPZSIQTVDXWFRBT-UFXYQILXSA-N
XLogP6.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 101213323
cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 97063459
2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol
CID 165163748
[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97063463
(S)-(2-bromoquinolin-4-yl)-[(2R)-1-tritylpiperidin-2-yl]methanol
CID 122423253
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
[(2S)-1-[(1S)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]pyrrolidin-2-yl]methanol
CID 138979034
phenyl-(1-phenylpyrrolidin-2-yl)methanol
CID 164523197
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
2,3-dihydro-1H-inden-2-yl-(4-methoxyphenyl)methanol
CID 65410577
[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol
CID 67899203
1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine
CID 58455165

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol (CID 177412112) is (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol is COc1ccc(C(O)[C@@H]2CCCN2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol?
The InChIKey is PZSIQTVDXWFRBT-UFXYQILXSA-N. The full InChI is InChI=1S/C31H31NO2/c1-34-28-21-19-24(20-22-28)30(33)29-18-11-23-32(29)31(25-12-5-2-6-13-25,26-14-7-3-8-15-26)27-16-9-4-10-17-27/h2-10,12-17,19-22,29-30,33H,11,18,23H2,1H3/t29-,30?/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol?
(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol has a molecular weight of 449.59 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 177412112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).