2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene

C16H15BrF2O2 — CID 63434940

IUPAC2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
SMILESCCOc1ccccc1C(Br)c1c(F)cc(OC)cc1F
InChIInChI=1S/C16H15BrF2O2/c1-3-21-14-7-5-4-6-11(14)16(17)15-12(18)8-10(20-2)9-13(15)19/h4-9,16H,3H2,1-2H3
InChIKeyXSQMOOBTHZTHNN-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.86
Rot. Bonds5

About 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene

2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene (PubChem CID 63434940) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
PubChem CID63434940
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
SMILESCCOc1ccccc1C(Br)c1c(F)cc(OC)cc1F
InChIInChI=1S/C16H15BrF2O2/c1-3-21-14-7-5-4-6-11(14)16(17)15-12(18)8-10(20-2)9-13(15)19/h4-9,16H,3H2,1-2H3
InChIKeyXSQMOOBTHZTHNN-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443200
2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63434807
1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
CID 12875474
2-[bromo-(2-fluoro-3-methylphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 81476978
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435329
5-[bromo-(2-ethoxyphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83047614
2-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-1,3,5-trifluorobenzene
CID 65100839
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618
2-[bromo-(3-fluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435031
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
2-[bromo-(3,4-difluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435376
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The IUPAC name of 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene (CID 63434940) is 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene is CCOc1ccccc1C(Br)c1c(F)cc(OC)cc1F.
What is the InChIKey of 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The InChIKey is XSQMOOBTHZTHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c1-3-21-14-7-5-4-6-11(14)16(17)15-12(18)8-10(20-2)9-13(15)19/h4-9,16H,3H2,1-2H3.
What are the key properties of 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene?
2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene has a molecular weight of 357.19 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 63434940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).