3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene

C14H11BrFNO3 — CID 134958189

IUPAC3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene
SMILESCc1c(F)cc([N+](=O)[O-])c(OCc2ccccc2)c1Br
InChIInChI=1S/C14H11BrFNO3/c1-9-11(16)7-12(17(18)19)14(13(9)15)20-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyRGRLOMRJIOAZRF-UHFFFAOYSA-N
MW340.15 g/mol
LogP4.38
Rot. Bonds4

About 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene

3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene (PubChem CID 134958189) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene.

Molecular Properties

Compound Name3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene
PubChem CID134958189
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene
SMILESCc1c(F)cc([N+](=O)[O-])c(OCc2ccccc2)c1Br
InChIInChI=1S/C14H11BrFNO3/c1-9-11(16)7-12(17(18)19)14(13(9)15)20-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyRGRLOMRJIOAZRF-UHFFFAOYSA-N
XLogP4.38
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 54.38
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-Bromophenyl 2-nitro-4-(trifluoromethyl)phenyl ether
CID 2782262
2-Bromo-4-methyl-1-[2-nitro-4-(trifluoromethyl)phenoxy]benzene
CID 172435104
1-Bromo-4-methoxy-2-methyl-5-nitrobenzene
CID 51350492
2-Bromo-1-(2-fluoro-4-methoxyphenyl)-4-nitrobenzene
CID 102103933
Benzenamine, 3-bromo-5-fluoro-4-methyl-2-(phenylmethoxy)-
CID 134968524
Benzene, 2-(2-bromoethoxy)-4-methyl-1-nitro-
CID 13685252
5-Bromo-2,2-dimethyl-6-(2-nitrophenoxy)chromene
CID 69397987
1-Bromo-5-fluoro-2-isopropoxy-3-nitrobenzene
CID 70699855
1-(3-Fluorophenyloxy)-2-nitro-5-methylbenzene
CID 91715671
2-(Benzyloxy)-4-fluoro-1-nitrobenzene
CID 11096908
2-Benzyloxy-1-nitro-4-trifluoromethylbenzene
CID 15054011
1-Benzyloxy-2,3-difluoro-6-nitrobenzene
CID 17858881

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene?
The IUPAC name of 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene (CID 134958189) is 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene.
What is the SMILES notation for 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene?
The canonical SMILES for 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene is Cc1c(F)cc([N+](=O)[O-])c(OCc2ccccc2)c1Br.
What is the InChIKey of 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene?
The InChIKey is RGRLOMRJIOAZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-9-11(16)7-12(17(18)19)14(13(9)15)20-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene?
3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene has a molecular weight of 340.15 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-fluoro-2-methyl-5-nitro-4-phenylmethoxybenzene is sourced from PubChem (CID 134958189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).