1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene

C9H10BrFO2 — CID 171000857

IUPAC1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
SMILESCCOc1c(Br)ccc(OC)c1F
InChIInChI=1S/C9H10BrFO2/c1-3-13-9-6(10)4-5-7(12-2)8(9)11/h4-5H,3H2,1-2H3
InChIKeyVQGLZRMNDFQHFG-UHFFFAOYSA-N
MW249.08 g/mol
LogP3.00
Rot. Bonds3

About 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene

1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene (PubChem CID 171000857) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
PubChem CID171000857
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
SMILESCCOc1c(Br)ccc(OC)c1F
InChIInChI=1S/C9H10BrFO2/c1-3-13-9-6(10)4-5-7(12-2)8(9)11/h4-5H,3H2,1-2H3
InChIKeyVQGLZRMNDFQHFG-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117462959
2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117488224
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1,2-dibromo-3-ethoxy-4-fluorobenzene
CID 118847248
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
(3-bromo-2-ethoxy-6-fluorophenyl)boronic acid
CID 44558166
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
sodium;2-(6-bromo-2-fluoro-3-methoxyphenyl)acetonitrile;cyanide
CID 175978714

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene (CID 171000857) is 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene is CCOc1c(Br)ccc(OC)c1F.
What is the InChIKey of 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene?
The InChIKey is VQGLZRMNDFQHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-3-13-9-6(10)4-5-7(12-2)8(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene?
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene has a molecular weight of 249.08 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene is sourced from PubChem (CID 171000857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).