2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene

C15H13BrClFO — CID 112613290

IUPAC2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
SMILESCc1cccc(CCl)c1OCc1cccc(F)c1Br
InChIInChI=1S/C15H13BrClFO/c1-10-4-2-5-11(8-17)15(10)19-9-12-6-3-7-13(18)14(12)16/h2-7H,8-9H2,1H3
InChIKeyGYXIIZRDVCKKLV-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.21
Rot. Bonds4

About 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene

2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene (PubChem CID 112613290) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
PubChem CID112613290
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
SMILESCc1cccc(CCl)c1OCc1cccc(F)c1Br
InChIInChI=1S/C15H13BrClFO/c1-10-4-2-5-11(8-17)15(10)19-9-12-6-3-7-13(18)14(12)16/h2-7H,8-9H2,1H3
InChIKeyGYXIIZRDVCKKLV-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115956515
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
1-(chloromethyl)-2-[(5-fluoro-2-nitrophenyl)methoxy]-3-methylbenzene
CID 115956495
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
CID 112651692

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
The IUPAC name of 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene (CID 112613290) is 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
The canonical SMILES for 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene is Cc1cccc(CCl)c1OCc1cccc(F)c1Br.
What is the InChIKey of 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
The InChIKey is GYXIIZRDVCKKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-10-4-2-5-11(8-17)15(10)19-9-12-6-3-7-13(18)14(12)16/h2-7H,8-9H2,1H3.
What are the key properties of 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene has a molecular weight of 343.62 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene is sourced from PubChem (CID 112613290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).