5-bromo-1-chloro-2-ethyl-3-methoxybenzene

C9H10BrClO — CID 84707034

IUPAC5-bromo-1-chloro-2-ethyl-3-methoxybenzene
SMILESCCc1c(Cl)cc(Br)cc1OC
InChIInChI=1S/C9H10BrClO/c1-3-7-8(11)4-6(10)5-9(7)12-2/h4-5H,3H2,1-2H3
InChIKeyFNOWYBIWUPTACR-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.67
Rot. Bonds2

About 5-bromo-1-chloro-2-ethyl-3-methoxybenzene

5-bromo-1-chloro-2-ethyl-3-methoxybenzene (PubChem CID 84707034) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-ethyl-3-methoxybenzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-ethyl-3-methoxybenzene
PubChem CID84707034
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name5-bromo-1-chloro-2-ethyl-3-methoxybenzene
SMILESCCc1c(Cl)cc(Br)cc1OC
InChIInChI=1S/C9H10BrClO/c1-3-7-8(11)4-6(10)5-9(7)12-2/h4-5H,3H2,1-2H3
InChIKeyFNOWYBIWUPTACR-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
CID 117327994
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
5-bromo-2-ethyl-1-methoxy-3-nitrobenzene
CID 158352726
1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
CID 117326102
1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 119098888
5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-ethyl-3-methoxybenzene?
The IUPAC name of 5-bromo-1-chloro-2-ethyl-3-methoxybenzene (CID 84707034) is 5-bromo-1-chloro-2-ethyl-3-methoxybenzene.
What is the SMILES notation for 5-bromo-1-chloro-2-ethyl-3-methoxybenzene?
The canonical SMILES for 5-bromo-1-chloro-2-ethyl-3-methoxybenzene is CCc1c(Cl)cc(Br)cc1OC.
What is the InChIKey of 5-bromo-1-chloro-2-ethyl-3-methoxybenzene?
The InChIKey is FNOWYBIWUPTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-3-7-8(11)4-6(10)5-9(7)12-2/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-1-chloro-2-ethyl-3-methoxybenzene?
5-bromo-1-chloro-2-ethyl-3-methoxybenzene has a molecular weight of 249.53 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-ethyl-3-methoxybenzene is sourced from PubChem (CID 84707034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).