4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol

C22H29NO7 — CID 7033134

IUPAC4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
SMILESCOc1cc(O)c([C@H](c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C22H29NO7/c1-25-17-12-15(16(24)13-18(17)26-2)21(23-6-8-30-9-7-23)14-10-19(27-3)22(29-5)20(11-14)28-4/h10-13,21,24H,6-9H2,1-5H3/t21-/m0/s1
InChIKeyGLKYHKSMUCCBFT-NRFANRHFSA-N
MW419.47 g/mol
LogP2.86
Rot. Bonds8

About 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol

4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol (PubChem CID 7033134) has the molecular formula C22H29NO7 and a molecular weight of 419.47 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
PubChem CID7033134
Molecular FormulaC22H29NO7
Molecular Weight419.47 g/mol
Exact Mass419.19
IUPAC Name4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
SMILESCOc1cc(O)c([C@H](c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C22H29NO7/c1-25-17-12-15(16(24)13-18(17)26-2)21(23-6-8-30-9-7-23)14-10-19(27-3)22(29-5)20(11-14)28-4/h10-13,21,24H,6-9H2,1-5H3/t21-/m0/s1
InChIKeyGLKYHKSMUCCBFT-NRFANRHFSA-N
XLogP2.86
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
CID 4001213
2-methyl-5-[(R)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105322
2,6-ditert-butyl-4-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]phenol
CID 1112677
8-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-7-hydroxy-4-methylbenzo[h]chromen-2-one
CID 42650679
5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol
CID 29105469
6-[(3,5-difluorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 2795633
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine
CID 135368630
3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54729241
(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine
CID 10516865
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
The IUPAC name of 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol (CID 7033134) is 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol.
What is the SMILES notation for 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
The canonical SMILES for 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol is COc1cc(O)c([C@H](c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
The InChIKey is GLKYHKSMUCCBFT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29NO7/c1-25-17-12-15(16(24)13-18(17)26-2)21(23-6-8-30-9-7-23)14-10-19(27-3)22(29-5)20(11-14)28-4/h10-13,21,24H,6-9H2,1-5H3/t21-/m0/s1.
What are the key properties of 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol has a molecular weight of 419.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol is sourced from PubChem (CID 7033134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).