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

C9H10BrClO — CID 146035250

IUPAC1-bromo-2-chloro-4-ethoxy-3-methylbenzene
SMILESCCOc1ccc(Br)c(Cl)c1C
InChIInChI=1S/C9H10BrClO/c1-3-12-8-5-4-7(10)9(11)6(8)2/h4-5H,3H2,1-2H3
InChIKeyKOYSOTCECPYCOK-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.81
Rot. Bonds2

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

1-bromo-2-chloro-4-ethoxy-3-methylbenzene (PubChem CID 146035250) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-ethoxy-3-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-ethoxy-3-methylbenzene
PubChem CID146035250
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-bromo-2-chloro-4-ethoxy-3-methylbenzene
SMILESCCOc1ccc(Br)c(Cl)c1C
InChIInChI=1S/C9H10BrClO/c1-3-12-8-5-4-7(10)9(11)6(8)2/h4-5H,3H2,1-2H3
InChIKeyKOYSOTCECPYCOK-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

6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
1,4-dibromo-2-chloro-3-methylbenzene
CID 44891208
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
7-bromo-3-chloro-4-ethoxy-1-benzothiophene-2-carboxylic acid
CID 91756165
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-ethoxy-3-methylbenzene?
The IUPAC name of 1-bromo-2-chloro-4-ethoxy-3-methylbenzene (CID 146035250) is 1-bromo-2-chloro-4-ethoxy-3-methylbenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-ethoxy-3-methylbenzene?
The canonical SMILES for 1-bromo-2-chloro-4-ethoxy-3-methylbenzene is CCOc1ccc(Br)c(Cl)c1C.
What is the InChIKey of 1-bromo-2-chloro-4-ethoxy-3-methylbenzene?
The InChIKey is KOYSOTCECPYCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-3-12-8-5-4-7(10)9(11)6(8)2/h4-5H,3H2,1-2H3.
What are the key properties of 1-bromo-2-chloro-4-ethoxy-3-methylbenzene?
1-bromo-2-chloro-4-ethoxy-3-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-2-chloro-4-ethoxy-3-methylbenzene is sourced from PubChem (CID 146035250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).