3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol

C15H10ClN3O — CID 137370789

IUPAC3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H10ClN3O/c16-15-18-13(10-5-2-1-3-6-10)17-14(19-15)11-7-4-8-12(20)9-11/h1-9,20H
InChIKeyHBZAEERIYLCMHO-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.56
Rot. Bonds2

About 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol

3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol (PubChem CID 137370789) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
PubChem CID137370789
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H10ClN3O/c16-15-18-13(10-5-2-1-3-6-10)17-14(19-15)11-7-4-8-12(20)9-11/h1-9,20H
InChIKeyHBZAEERIYLCMHO-UHFFFAOYSA-N
XLogP3.56
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
CID 170034814
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2,4-dichloro-6-(3-phenylphenyl)-1,3,5-triazine;phenylboronic acid
CID 159203578
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
CID 63613324
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-chloro-4-phenyl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177283386
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol (CID 137370789) is 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol is Oc1cccc(-c2nc(Cl)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol?
The InChIKey is HBZAEERIYLCMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-15-18-13(10-5-2-1-3-6-10)17-14(19-15)11-7-4-8-12(20)9-11/h1-9,20H.
What are the key properties of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol?
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol has a molecular weight of 283.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 137370789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).