1-bromo-3,5-dichloro-2-methoxybenzene

C7H5BrCl2O — CID 17087326

IUPAC1-bromo-3,5-dichloro-2-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C7H5BrCl2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyOEYKUHBCPJRXGZ-UHFFFAOYSA-N
MW255.93 g/mol
LogP3.76
Rot. Bonds1

About 1-bromo-3,5-dichloro-2-methoxybenzene

1-bromo-3,5-dichloro-2-methoxybenzene (PubChem CID 17087326) has the molecular formula C7H5BrCl2O and a molecular weight of 255.93 g/mol. Its IUPAC name is 1-bromo-3,5-dichloro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3,5-dichloro-2-methoxybenzene
PubChem CID17087326
Molecular FormulaC7H5BrCl2O
Molecular Weight255.93 g/mol
Exact Mass253.89
IUPAC Name1-bromo-3,5-dichloro-2-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C7H5BrCl2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyOEYKUHBCPJRXGZ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.93
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dichloroanisole
CID 11119
2,4,6-Trichloroanisole
CID 6884
2-Bromo-4-chloroanisole
CID 521935
4-Bromo-2-chloroanisole
CID 3016537
2-Bromo-6-chloroanisole
CID 23433617
5-Bromo-2-chloroanisole
CID 2769567
2,4,6-Trichloroanisole-d5
CID 16212193
4-Bromo-2-chloro-6-iodoanisole
CID 101585753
2-Bromo-4-chloro-1-(difluoromethoxy)benzene
CID 46311537
5-Bromo-1-chloro-3-fluoro-2-methoxybenzene
CID 2773260
4-Bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
5-Bromo-1,3-dichloro-2-(difluoromethoxy)benzene
CID 66865742

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-dichloro-2-methoxybenzene?
The IUPAC name of 1-bromo-3,5-dichloro-2-methoxybenzene (CID 17087326) is 1-bromo-3,5-dichloro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-3,5-dichloro-2-methoxybenzene?
The canonical SMILES for 1-bromo-3,5-dichloro-2-methoxybenzene is COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 1-bromo-3,5-dichloro-2-methoxybenzene?
The InChIKey is OEYKUHBCPJRXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3.
What are the key properties of 1-bromo-3,5-dichloro-2-methoxybenzene?
1-bromo-3,5-dichloro-2-methoxybenzene has a molecular weight of 255.93 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-dichloro-2-methoxybenzene is sourced from PubChem (CID 17087326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).