(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine

C26H29NO4 — CID 168862216

IUPAC(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
SMILESCOc1ccc(C(OC[C@@H]2CNCCO2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO4/c1-28-23-12-8-21(9-13-23)26(20-6-4-3-5-7-20,22-10-14-24(29-2)15-11-22)31-19-25-18-27-16-17-30-25/h3-15,25,27H,16-19H2,1-2H3/t25-/m0/s1
InChIKeyDSZGZFYBUHMLSC-VWLOTQADSA-N
MW419.52 g/mol
LogP4.00
Rot. Bonds8

About (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine (PubChem CID 168862216) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
PubChem CID168862216
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
SMILESCOc1ccc(C(OC[C@@H]2CNCCO2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO4/c1-28-23-12-8-21(9-13-23)26(20-6-4-3-5-7-20,22-10-14-24(29-2)15-11-22)31-19-25-18-27-16-17-30-25/h3-15,25,27H,16-19H2,1-2H3/t25-/m0/s1
InChIKeyDSZGZFYBUHMLSC-VWLOTQADSA-N
XLogP4.00
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.00
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

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane
CID 68719586
(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane
CID 53237594
CID 89240141
CID 89240141
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine?
The IUPAC name of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine (CID 168862216) is (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine?
The canonical SMILES for (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine is COc1ccc(C(OC[C@@H]2CNCCO2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine?
The InChIKey is DSZGZFYBUHMLSC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29NO4/c1-28-23-12-8-21(9-13-23)26(20-6-4-3-5-7-20,22-10-14-24(29-2)15-11-22)31-19-25-18-27-16-17-30-25/h3-15,25,27H,16-19H2,1-2H3/t25-/m0/s1.
What are the key properties of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine?
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine has a molecular weight of 419.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine is sourced from PubChem (CID 168862216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).