[4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol

C22H20N4O3 — CID 144555983

IUPAC[4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol
SMILESOCc1ccc(Nc2nc(OC3=CCCC=C3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C22H20N4O3/c27-15-16-11-13-17(14-12-16)23-20-24-21(28-18-7-3-1-4-8-18)26-22(25-20)29-19-9-5-2-6-10-19/h1,3-5,7-14,27H,2,6,15H2,(H,23,24,25,26)
InChIKeyLPCYGOWXJLFOLS-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.51
Rot. Bonds7

About [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol

[4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol (PubChem CID 144555983) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol
PubChem CID144555983
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name[4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol
SMILESOCc1ccc(Nc2nc(OC3=CCCC=C3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C22H20N4O3/c27-15-16-11-13-17(14-12-16)23-20-24-21(28-18-7-3-1-4-8-18)26-22(25-20)29-19-9-5-2-6-10-19/h1,3-5,7-14,27H,2,6,15H2,(H,23,24,25,26)
InChIKeyLPCYGOWXJLFOLS-UHFFFAOYSA-N
XLogP4.51
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
CID 163712308
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
2-cyclohexa-1,5-dien-1-yloxy-3-phenoxynaphthalene-1,4-dione
CID 145041571
[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
CID 175988564
4-[4-[[4-[4-(4-cyanophenyl)anilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]phenyl]benzonitrile
CID 146533029
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
4-cyclohexa-1,5-dien-1-yloxyphenol
CID 129018393
5-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 72730170
(2-anilinopyrimidin-5-yl)methanol;methane
CID 161338476
2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine
CID 145326243
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol?
The IUPAC name of [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol (CID 144555983) is [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol?
The canonical SMILES for [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol is OCc1ccc(Nc2nc(OC3=CCCC=C3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol?
The InChIKey is LPCYGOWXJLFOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-15-16-11-13-17(14-12-16)23-20-24-21(28-18-7-3-1-4-8-18)26-22(25-20)29-19-9-5-2-6-10-19/h1,3-5,7-14,27H,2,6,15H2,(H,23,24,25,26).
What are the key properties of [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol?
[4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol has a molecular weight of 388.43 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 144555983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).