1-bromo-5-ethoxy-2-fluoro-3-methylbenzene

C9H10BrFO — CID 164891518

IUPAC1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
SMILESCCOc1cc(C)c(F)c(Br)c1
InChIInChI=1S/C9H10BrFO/c1-3-12-7-4-6(2)9(11)8(10)5-7/h4-5H,3H2,1-2H3
InChIKeyYXUCCBZUEHRLCX-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.30
Rot. Bonds2

About 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene

1-bromo-5-ethoxy-2-fluoro-3-methylbenzene (PubChem CID 164891518) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
PubChem CID164891518
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
SMILESCCOc1cc(C)c(F)c(Br)c1
InChIInChI=1S/C9H10BrFO/c1-3-12-7-4-6(2)9(11)8(10)5-7/h4-5H,3H2,1-2H3
InChIKeyYXUCCBZUEHRLCX-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
CID 164891517
2,6-dibromo-4-ethoxyaniline
CID 14043930
methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519
1-bromo-3,5-diethoxybenzene
CID 150473293
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477237
2-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799347
1-bromo-2,3-dichloro-5-ethoxybenzene
CID 171032896
6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
CID 70476800
ethyl 2-(3-bromo-2-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117492085

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene?
The IUPAC name of 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene (CID 164891518) is 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene is CCOc1cc(C)c(F)c(Br)c1.
What is the InChIKey of 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene?
The InChIKey is YXUCCBZUEHRLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-3-12-7-4-6(2)9(11)8(10)5-7/h4-5H,3H2,1-2H3.
What are the key properties of 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene?
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene has a molecular weight of 233.08 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-ethoxy-2-fluoro-3-methylbenzene is sourced from PubChem (CID 164891518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).