1,4-dibromo-2-chloro-5-methoxybenzene

C7H5Br2ClO — CID 50997851

IUPAC1,4-dibromo-2-chloro-5-methoxybenzene
SMILESCOc1cc(Br)c(Cl)cc1Br
InChIInChI=1S/C7H5Br2ClO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,1H3
InChIKeyLETNTRISWOPNKQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.87
Rot. Bonds1

About 1,4-dibromo-2-chloro-5-methoxybenzene

1,4-dibromo-2-chloro-5-methoxybenzene (PubChem CID 50997851) has the molecular formula C7H5Br2ClO and a molecular weight of 300.38 g/mol. Its IUPAC name is 1,4-dibromo-2-chloro-5-methoxybenzene.

Molecular Properties

Compound Name1,4-dibromo-2-chloro-5-methoxybenzene
PubChem CID50997851
Molecular FormulaC7H5Br2ClO
Molecular Weight300.38 g/mol
Exact Mass297.84
IUPAC Name1,4-dibromo-2-chloro-5-methoxybenzene
SMILESCOc1cc(Br)c(Cl)cc1Br
InChIInChI=1S/C7H5Br2ClO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,1H3
InChIKeyLETNTRISWOPNKQ-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-2-methoxyaniline
CID 75537158
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde
CID 83902189
1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
CID 168512756
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
1-bromo-4-[bromo-(3-bromo-4-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992248
2-(4-bromo-5-chloro-2-methoxyphenyl)-2-methylpropanenitrile
CID 84814483
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
1,3,4-tribromo-2-chloro-5-methoxybenzene
CID 169336784
2-bromo-4-chloro-1-methoxybenzene
CID 140982994

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-chloro-5-methoxybenzene?
The IUPAC name of 1,4-dibromo-2-chloro-5-methoxybenzene (CID 50997851) is 1,4-dibromo-2-chloro-5-methoxybenzene.
What is the SMILES notation for 1,4-dibromo-2-chloro-5-methoxybenzene?
The canonical SMILES for 1,4-dibromo-2-chloro-5-methoxybenzene is COc1cc(Br)c(Cl)cc1Br.
What is the InChIKey of 1,4-dibromo-2-chloro-5-methoxybenzene?
The InChIKey is LETNTRISWOPNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2ClO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,1H3.
What are the key properties of 1,4-dibromo-2-chloro-5-methoxybenzene?
1,4-dibromo-2-chloro-5-methoxybenzene has a molecular weight of 300.38 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-chloro-5-methoxybenzene is sourced from PubChem (CID 50997851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).