4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene

C15H14BrFO2 — CID 61097600

IUPAC4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C15H14BrFO2/c1-18-12-6-3-10(4-7-12)15(16)11-5-8-14(19-2)13(17)9-11/h3-9,15H,1-2H3
InChIKeyLNJGOEZNXJEHPI-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.33
Rot. Bonds4

About 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene

4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene (PubChem CID 61097600) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
PubChem CID61097600
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C15H14BrFO2/c1-18-12-6-3-10(4-7-12)15(16)11-5-8-14(19-2)13(17)9-11/h3-9,15H,1-2H3
InChIKeyLNJGOEZNXJEHPI-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.33
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-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443237
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde
CID 123461274
1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
4-[bromo-[3-(trifluoromethyl)phenyl]methyl]-2-fluoro-1-methoxybenzene
CID 63442755
4-(1-bromo-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61098601
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81285176
(2S)-2-bromo-2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 135263435
5-[bromo-(3-bromo-4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63435205
1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
CID 63442700
1-bromo-2-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3-fluorobenzene
CID 114560660
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238300

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene (CID 61097600) is 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene is COc1ccc(C(Br)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene?
The InChIKey is LNJGOEZNXJEHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-18-12-6-3-10(4-7-12)15(16)11-5-8-14(19-2)13(17)9-11/h3-9,15H,1-2H3.
What are the key properties of 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene?
4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene has a molecular weight of 325.18 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 61097600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).