[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone

C32H25N3O4 — CID 135673554

IUPAC[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc(C(=O)c3ccc(C)cc3)nc(-c3ccc(OCc4ccccc4)cc3O)n2)cc1
InChIInChI=1S/C32H25N3O4/c1-20-8-12-23(13-9-20)28(37)31-33-30(34-32(35-31)29(38)24-14-10-21(2)11-15-24)26-17-16-25(18-27(26)36)39-19-22-6-4-3-5-7-22/h3-18,36H,19H2,1-2H3
InChIKeyNRPMLCQYMHXGSJ-UHFFFAOYSA-N
MW515.57 g/mol
LogP5.90
Rot. Bonds8

About [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone

[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone (PubChem CID 135673554) has the molecular formula C32H25N3O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone
PubChem CID135673554
Molecular FormulaC32H25N3O4
Molecular Weight515.57 g/mol
Exact Mass515.18
IUPAC Name[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc(C(=O)c3ccc(C)cc3)nc(-c3ccc(OCc4ccccc4)cc3O)n2)cc1
InChIInChI=1S/C32H25N3O4/c1-20-8-12-23(13-9-20)28(37)31-33-30(34-32(35-31)29(38)24-14-10-21(2)11-15-24)26-17-16-25(18-27(26)36)39-19-22-6-4-3-5-7-22/h3-18,36H,19H2,1-2H3
InChIKeyNRPMLCQYMHXGSJ-UHFFFAOYSA-N
XLogP5.90
TPSA102.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
[4-[4-(2-hexoxyethoxy)-2-hydroxyphenyl]-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone
CID 135829598
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
2-phenyl-5-phenylmethoxyphenol
CID 123808909
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
bis[2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] decanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] hexanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] octanedioate
CID 158563004
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone (CID 135673554) is [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2nc(C(=O)c3ccc(C)cc3)nc(-c3ccc(OCc4ccccc4)cc3O)n2)cc1.
What is the InChIKey of [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is NRPMLCQYMHXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O4/c1-20-8-12-23(13-9-20)28(37)31-33-30(34-32(35-31)29(38)24-14-10-21(2)11-15-24)26-17-16-25(18-27(26)36)39-19-22-6-4-3-5-7-22/h3-18,36H,19H2,1-2H3.
What are the key properties of [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone?
[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 515.57 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 135673554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).