2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene

C15H13BrClNO3 — CID 107724224

IUPAC2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H13BrClNO3/c1-8-6-13(18(19)20)12(17)7-14(8)21-11-4-9(2)15(16)10(3)5-11/h4-7H,1-3H3
InChIKeyYLQLGIAZKUCSPW-UHFFFAOYSA-N
MW370.63 g/mol
LogP5.73
Rot. Bonds3

About 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene

2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene (PubChem CID 107724224) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
PubChem CID107724224
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC Name2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H13BrClNO3/c1-8-6-13(18(19)20)12(17)7-14(8)21-11-4-9(2)15(16)10(3)5-11/h4-7H,1-3H3
InChIKeyYLQLGIAZKUCSPW-UHFFFAOYSA-N
XLogP5.73
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724167
2-bromo-5-(4-bromo-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724090
1-[4-(5-chloro-2-methyl-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486747
5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 115556226
1-chloro-5-(difluoromethoxy)-4-methyl-2-nitrobenzene
CID 118850656
3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
CID 115556274
1-bromo-4-chloro-2-methoxy-5-nitrobenzene
CID 126419830
1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
2-(4-bromo-3,5-dimethylphenoxy)-5-nitroaniline
CID 107722583
1-[4-(chloromethyl)-3-methylphenoxy]-2,5-dimethyl-4-nitrobenzene
CID 63568400
(3S)-3-(5-chloro-2-methyl-4-nitrophenoxy)piperidine
CID 115556289
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene (CID 107724224) is 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene is Cc1cc([N+](=O)[O-])c(Cl)cc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene?
The InChIKey is YLQLGIAZKUCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c1-8-6-13(18(19)20)12(17)7-14(8)21-11-4-9(2)15(16)10(3)5-11/h4-7H,1-3H3.
What are the key properties of 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene?
2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene has a molecular weight of 370.63 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 107724224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).