[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol

C27H31NO4 — CID 59408053

IUPAC[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
SMILESCOc1ccc(C(OC2CN(C)CC2CO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H31NO4/c1-28-17-20(19-29)26(18-28)32-27(21-7-5-4-6-8-21,22-9-13-24(30-2)14-10-22)23-11-15-25(31-3)16-12-23/h4-16,20,26,29H,17-19H2,1-3H3
InChIKeyZKFSXLYXKCPHKQ-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.93
Rot. Bonds8

About [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol

[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol (PubChem CID 59408053) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
PubChem CID59408053
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
SMILESCOc1ccc(C(OC2CN(C)CC2CO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H31NO4/c1-28-17-20(19-29)26(18-28)32-27(21-7-5-4-6-8-21,22-9-13-24(30-2)14-10-22)23-11-15-25(31-3)16-12-23/h4-16,20,26,29H,17-19H2,1-3H3
InChIKeyZKFSXLYXKCPHKQ-UHFFFAOYSA-N
XLogP3.93
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S,4R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-4-hydroxypyrrolidine-1-carboxylate
CID 102153212
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176862335
1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 169068441
1-[[(2S,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10554855
1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 50989243
1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid
CID 10252950
9H-fluoren-9-ylmethyl (1S,2S,5S,6S)-2-[bis(4-methoxyphenyl)-phenylmethoxy]-6-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 100974341
10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal
CID 176754642
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
CID 11803320
ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075047
benzyl (3R,4R,5S)-3-hydroxy-4-(4-methoxyphenyl)-2-methyl-5-trityloxypiperidine-1-carboxylate
CID 140545546

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol (CID 59408053) is [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol is COc1ccc(C(OC2CN(C)CC2CO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is ZKFSXLYXKCPHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-28-17-20(19-29)26(18-28)32-27(21-7-5-4-6-8-21,22-9-13-24(30-2)14-10-22)23-11-15-25(31-3)16-12-23/h4-16,20,26,29H,17-19H2,1-3H3.
What are the key properties of [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol?
[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 433.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 59408053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).