1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene

C9H9Br2ClO2 — CID 11233233

IUPAC1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
SMILESCOc1cc(Br)c(OCCCl)cc1Br
InChIInChI=1S/C9H9Br2ClO2/c1-13-8-4-7(11)9(5-6(8)10)14-3-2-12/h4-5H,2-3H2,1H3
InChIKeyHTVPBTWCGJEGRJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.84
Rot. Bonds4

About 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene

1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene (PubChem CID 11233233) has the molecular formula C9H9Br2ClO2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene.

Molecular Properties

Compound Name1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
PubChem CID11233233
Molecular FormulaC9H9Br2ClO2
Molecular Weight344.43 g/mol
Exact Mass341.87
IUPAC Name1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
SMILESCOc1cc(Br)c(OCCCl)cc1Br
InChIInChI=1S/C9H9Br2ClO2/c1-13-8-4-7(11)9(5-6(8)10)14-3-2-12/h4-5H,2-3H2,1H3
InChIKeyHTVPBTWCGJEGRJ-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
CID 66602625
1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene
CID 19375793
4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide
CID 79403949
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 79403943
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]prop-2-en-1-amine
CID 79403871
2-(2,5-dibromo-4-methoxyphenoxy)acetaldehyde
CID 79404227
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
CID 79403637
4-chloro-2-(2-chloroethoxy)-1-methoxybenzene
CID 19982180
5-(2,5-dibromo-4-methoxyphenoxy)-N'-hydroxypentanimidamide
CID 79404299
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 79407747

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene?
The IUPAC name of 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene (CID 11233233) is 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene.
What is the SMILES notation for 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene?
The canonical SMILES for 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene is COc1cc(Br)c(OCCCl)cc1Br.
What is the InChIKey of 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene?
The InChIKey is HTVPBTWCGJEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2ClO2/c1-13-8-4-7(11)9(5-6(8)10)14-3-2-12/h4-5H,2-3H2,1H3.
What are the key properties of 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene?
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene has a molecular weight of 344.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene is sourced from PubChem (CID 11233233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).