2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

C12H11BrClN3O2 — CID 55124618

IUPAC2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C12H11BrClN3O2/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-5-3-4-8(13)6-9/h3-7H,1-2H3
InChIKeyUTXHLRNOYWREMQ-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.87
Rot. Bonds4

About 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 55124618) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
PubChem CID55124618
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC Name2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C12H11BrClN3O2/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-5-3-4-8(13)6-9/h3-7H,1-2H3
InChIKeyUTXHLRNOYWREMQ-UHFFFAOYSA-N
XLogP3.87
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868287
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869293
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868442
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 62869638
2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868280
N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82860928
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548188
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (CID 55124618) is 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is UTXHLRNOYWREMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-5-3-4-8(13)6-9/h3-7H,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 344.60 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 55124618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).