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

C16H16BrFO2 — CID 63443200

IUPAC1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCCOc1ccccc1C(Br)c1ccc(OC)cc1F
InChIInChI=1S/C16H16BrFO2/c1-3-20-15-7-5-4-6-13(15)16(17)12-9-8-11(19-2)10-14(12)18/h4-10,16H,3H2,1-2H3
InChIKeyMPQWBOSOCRSCAA-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.72
Rot. Bonds5

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

1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 63443200) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID63443200
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCCOc1ccccc1C(Br)c1ccc(OC)cc1F
InChIInChI=1S/C16H16BrFO2/c1-3-20-15-7-5-4-6-13(15)16(17)12-9-8-11(19-2)10-14(12)18/h4-10,16H,3H2,1-2H3
InChIKeyMPQWBOSOCRSCAA-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.72
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

2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63434940
1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443159
1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
CID 12875474
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
1-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 102884602
5-[bromo-(2-ethoxyphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83047614
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
1-[bromo-(2,4-dimethoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 82771219
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
1-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 102884625

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene (CID 63443200) is 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene is CCOc1ccccc1C(Br)c1ccc(OC)cc1F.
What is the InChIKey of 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is MPQWBOSOCRSCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-3-20-15-7-5-4-6-13(15)16(17)12-9-8-11(19-2)10-14(12)18/h4-10,16H,3H2,1-2H3.
What are the key properties of 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene?
1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 339.20 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 63443200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).