4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol

C21H17N3O2 — CID 175202932

IUPAC4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2ncnc(C3(c4ccccc4)C=CC=CC3)n2)c(O)c1
InChIInChI=1S/C21H17N3O2/c25-16-9-10-17(18(26)13-16)19-22-14-23-20(24-19)21(11-5-2-6-12-21)15-7-3-1-4-8-15/h1-11,13-14,25-26H,12H2
InChIKeyZFFONXFFCINNFG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.75
Rot. Bonds3

About 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol

4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol (PubChem CID 175202932) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol
PubChem CID175202932
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2ncnc(C3(c4ccccc4)C=CC=CC3)n2)c(O)c1
InChIInChI=1S/C21H17N3O2/c25-16-9-10-17(18(26)13-16)19-22-14-23-20(24-19)21(11-5-2-6-12-21)15-7-3-1-4-8-15/h1-11,13-14,25-26H,12H2
InChIKeyZFFONXFFCINNFG-UHFFFAOYSA-N
XLogP3.75
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol (CID 175202932) is 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol is Oc1ccc(-c2ncnc(C3(c4ccccc4)C=CC=CC3)n2)c(O)c1.
What is the InChIKey of 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The InChIKey is ZFFONXFFCINNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-16-9-10-17(18(26)13-16)19-22-14-23-20(24-19)21(11-5-2-6-12-21)15-7-3-1-4-8-15/h1-11,13-14,25-26H,12H2.
What are the key properties of 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol has a molecular weight of 343.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 175202932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).