1-bromo-4-chloro-3-ethoxy-2-methylbenzene

C9H10BrClO — CID 171000252

IUPAC1-bromo-4-chloro-3-ethoxy-2-methylbenzene
SMILESCCOc1c(Cl)ccc(Br)c1C
InChIInChI=1S/C9H10BrClO/c1-3-12-9-6(2)7(10)4-5-8(9)11/h4-5H,3H2,1-2H3
InChIKeyCHSGQBSNTJQQQL-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.81
Rot. Bonds2

About 1-bromo-4-chloro-3-ethoxy-2-methylbenzene

1-bromo-4-chloro-3-ethoxy-2-methylbenzene (PubChem CID 171000252) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-bromo-4-chloro-3-ethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-3-ethoxy-2-methylbenzene
PubChem CID171000252
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-bromo-4-chloro-3-ethoxy-2-methylbenzene
SMILESCCOc1c(Cl)ccc(Br)c1C
InChIInChI=1S/C9H10BrClO/c1-3-12-9-6(2)7(10)4-5-8(9)11/h4-5H,3H2,1-2H3
InChIKeyCHSGQBSNTJQQQL-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
CID 174673959
CID 174673959
1-bromo-4-ethoxy-2,3,5-trimethylbenzene
CID 143804486
1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
CID 164512715
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
N-(2,4-dichloro-3-ethoxyphenyl)formamide
CID 118874942
1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
CID 164893633
1,2-dibromo-3-ethoxy-4-fluorobenzene
CID 118847248
2-bromo-4-chloro-7-ethoxy-1-benzothiophene
CID 131080410
(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
CID 129411004
1,4-dibromo-2-chloro-3-methylbenzene
CID 44891208

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-3-ethoxy-2-methylbenzene?
The IUPAC name of 1-bromo-4-chloro-3-ethoxy-2-methylbenzene (CID 171000252) is 1-bromo-4-chloro-3-ethoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-chloro-3-ethoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-4-chloro-3-ethoxy-2-methylbenzene is CCOc1c(Cl)ccc(Br)c1C.
What is the InChIKey of 1-bromo-4-chloro-3-ethoxy-2-methylbenzene?
The InChIKey is CHSGQBSNTJQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-3-12-9-6(2)7(10)4-5-8(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-bromo-4-chloro-3-ethoxy-2-methylbenzene?
1-bromo-4-chloro-3-ethoxy-2-methylbenzene has a molecular weight of 249.53 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-3-ethoxy-2-methylbenzene is sourced from PubChem (CID 171000252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).