4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene

C15H13BrF2O — CID 63440149

IUPAC4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
SMILESCOc1ccccc1CC(Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-19-15-5-3-2-4-11(15)8-12(16)10-6-7-13(17)14(18)9-10/h2-7,9,12H,8H2,1H3
InChIKeyUMXCXDGQESUCRV-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.65
Rot. Bonds4

About 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene

4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene (PubChem CID 63440149) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
PubChem CID63440149
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
SMILESCOc1ccccc1CC(Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-19-15-5-3-2-4-11(15)8-12(16)10-6-7-13(17)14(18)9-10/h2-7,9,12H,8H2,1H3
InChIKeyUMXCXDGQESUCRV-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.65
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

1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,3,4-trifluorobenzene
CID 79756553
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63542796
4-[1-bromo-2-(2-nitrophenyl)ethyl]-1,2-difluorobenzene
CID 63018155
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan
CID 63018381
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-4-chloro-2-methylbenzene
CID 114028164
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461469
1-bromo-4-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105399972

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene?
The IUPAC name of 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene (CID 63440149) is 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene is COc1ccccc1CC(Br)c1ccc(F)c(F)c1.
What is the InChIKey of 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene?
The InChIKey is UMXCXDGQESUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-19-15-5-3-2-4-11(15)8-12(16)10-6-7-13(17)14(18)9-10/h2-7,9,12H,8H2,1H3.
What are the key properties of 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene?
4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene has a molecular weight of 327.17 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene is sourced from PubChem (CID 63440149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).