1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

C25H23N3O6 — CID 118029923

IUPAC1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCc1cc(Cn2c(=O)n(Cc3ccc(O)cc3)c(=O)n(Cc3ccc(O)cc3)c2=O)ccc1O
InChIInChI=1S/C25H23N3O6/c1-16-12-19(6-11-22(16)31)15-28-24(33)26(13-17-2-7-20(29)8-3-17)23(32)27(25(28)34)14-18-4-9-21(30)10-5-18/h2-12,29-31H,13-15H2,1H3
InChIKeyDCSRQBLUZOUKAP-UHFFFAOYSA-N
MW461.47 g/mol
LogP1.74
Rot. Bonds6

About 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 118029923) has the molecular formula C25H23N3O6 and a molecular weight of 461.47 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID118029923
Molecular FormulaC25H23N3O6
Molecular Weight461.47 g/mol
Exact Mass461.16
IUPAC Name1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCc1cc(Cn2c(=O)n(Cc3ccc(O)cc3)c(=O)n(Cc3ccc(O)cc3)c2=O)ccc1O
InChIInChI=1S/C25H23N3O6/c1-16-12-19(6-11-22(16)31)15-28-24(33)26(13-17-2-7-20(29)8-3-17)23(32)27(25(28)34)14-18-4-9-21(30)10-5-18/h2-12,29-31H,13-15H2,1H3
InChIKeyDCSRQBLUZOUKAP-UHFFFAOYSA-N
XLogP1.74
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione (CID 118029923) is 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione is Cc1cc(Cn2c(=O)n(Cc3ccc(O)cc3)c(=O)n(Cc3ccc(O)cc3)c2=O)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is DCSRQBLUZOUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6/c1-16-12-19(6-11-22(16)31)15-28-24(33)26(13-17-2-7-20(29)8-3-17)23(32)27(25(28)34)14-18-4-9-21(30)10-5-18/h2-12,29-31H,13-15H2,1H3.
What are the key properties of 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 461.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 118029923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).