6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol

C38H43N3O9 — CID 135977716

IUPAC6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol
SMILESC=CCc1c(OCCOC)ccc(-c2nc(-c3ccc(OCCOC)c(CC=C)c3O)nc(-c3ccc(OCOC)c(CC=C)c3O)n2)c1O
InChIInChI=1S/C38H43N3O9/c1-7-10-24-30(48-21-19-45-4)16-13-27(33(24)42)36-39-37(28-14-17-31(49-22-20-46-5)25(11-8-2)34(28)43)41-38(40-36)29-15-18-32(50-23-47-6)26(12-9-3)35(29)44/h7-9,13-18,42-44H,1-3,10-12,19-23H2,4-6H3
InChIKeyDTGIZBJRMBKKAY-UHFFFAOYSA-N
MW685.77 g/mol
LogP6.21
Rot. Bonds20

About 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol

6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol (PubChem CID 135977716) has the molecular formula C38H43N3O9 and a molecular weight of 685.77 g/mol. Its IUPAC name is 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol.

Molecular Properties

Compound Name6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol
PubChem CID135977716
Molecular FormulaC38H43N3O9
Molecular Weight685.77 g/mol
Exact Mass685.30
IUPAC Name6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol
SMILESC=CCc1c(OCCOC)ccc(-c2nc(-c3ccc(OCCOC)c(CC=C)c3O)nc(-c3ccc(OCOC)c(CC=C)c3O)n2)c1O
InChIInChI=1S/C38H43N3O9/c1-7-10-24-30(48-21-19-45-4)16-13-27(33(24)42)36-39-37(28-14-17-31(49-22-20-46-5)25(11-8-2)34(28)43)41-38(40-36)29-15-18-32(50-23-47-6)26(12-9-3)35(29)44/h7-9,13-18,42-44H,1-3,10-12,19-23H2,4-6H3
InChIKeyDTGIZBJRMBKKAY-UHFFFAOYSA-N
XLogP6.21
TPSA154.74 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500685.77
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Bemotrizinol
CID 135487856
2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-(octyloxy)phenol
CID 135414248
2-(2-Hydroxy-4-hexyloxyphenyl)-4,6-diphenyl-1,3,5-triazine
CID 4992761
2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-(3-((2-ethylhexyl)oxy)-2-hydroxypropoxy)phenol
CID 135530657
Phenol, 2-[4,6-bis([1,1'-biphenyl]-4-yl)-1,3,5-triazin-2-yl]-5-[(2-ethylhexyl)oxy]-
CID 135415896
Phenol, 2,2'-[6-(2,4-dibutoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-butoxy-
CID 135431040
Propanoic acid, 2-[4-[4,6-bis([1,1'-biphenyl]-4-yl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-, isooctyl ester
CID 136173325
Phenol, 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxy-
CID 135492540
Hexanoic acid, 2-ethyl-, 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl ester
CID 135753979
Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(hexyloxy)-6-methyl-
CID 135774073
2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 136146573
4,4'(4-(4-Methoxyphenyl)-1,3,5-triazin-2,4-diyl)bisbenzene-1,3-diol
CID 135490907

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol?
The IUPAC name of 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol (CID 135977716) is 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol.
What is the SMILES notation for 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol?
The canonical SMILES for 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol is C=CCc1c(OCCOC)ccc(-c2nc(-c3ccc(OCCOC)c(CC=C)c3O)nc(-c3ccc(OCOC)c(CC=C)c3O)n2)c1O.
What is the InChIKey of 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol?
The InChIKey is DTGIZBJRMBKKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N3O9/c1-7-10-24-30(48-21-19-45-4)16-13-27(33(24)42)36-39-37(28-14-17-31(49-22-20-46-5)25(11-8-2)34(28)43)41-38(40-36)29-15-18-32(50-23-47-6)26(12-9-3)35(29)44/h7-9,13-18,42-44H,1-3,10-12,19-23H2,4-6H3.
What are the key properties of 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol?
6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol has a molecular weight of 685.77 g/mol, XLogP of 6.21, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol is sourced from PubChem (CID 135977716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).