2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene

C14H11BrClNO3 — CID 63529440

IUPAC2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClNO3/c1-9-2-5-14(12(15)6-9)20-8-10-3-4-11(17(18)19)7-13(10)16/h2-7H,8H2,1H3
InChIKeyLVMJPMFFUNNANI-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.90
Rot. Bonds4

About 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene

2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene (PubChem CID 63529440) has the molecular formula C14H11BrClNO3 and a molecular weight of 356.60 g/mol. Its IUPAC name is 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
PubChem CID63529440
Molecular FormulaC14H11BrClNO3
Molecular Weight356.60 g/mol
Exact Mass354.96
IUPAC Name2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClNO3/c1-9-2-5-14(12(15)6-9)20-8-10-3-4-11(17(18)19)7-13(10)16/h2-7H,8H2,1H3
InChIKeyLVMJPMFFUNNANI-UHFFFAOYSA-N
XLogP4.90
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.90
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

1-[[2-(bromomethyl)-4-nitrophenoxy]methyl]-2-chloro-4-methylbenzene
CID 106864563
3-bromo-4-[(2-chloro-4-nitrophenyl)methoxy]benzaldehyde
CID 63051105
2-bromo-1-(2-chloro-4-nitrophenoxy)-4-methylbenzene
CID 29032684
4-[(2-bromo-4-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665839
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
2-bromo-N-[(2-chloro-4-nitrophenyl)methyl]-4-methylaniline
CID 63490140
4-(bromomethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691777
1-bromo-2-[(2-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235955
2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
2,6-dibromo-N-[(2-chloro-4-nitrophenyl)methyl]-4-methylaniline
CID 63488167

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene?
The IUPAC name of 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene (CID 63529440) is 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene?
The canonical SMILES for 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene is Cc1ccc(OCc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene?
The InChIKey is LVMJPMFFUNNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3/c1-9-2-5-14(12(15)6-9)20-8-10-3-4-11(17(18)19)7-13(10)16/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene?
2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene has a molecular weight of 356.60 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene is sourced from PubChem (CID 63529440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).