4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene

C10H13BrO3 — CID 53216998

IUPAC4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(Br)ccc1OC
InChIInChI=1S/C10H13BrO3/c1-12-5-6-14-10-7-8(11)3-4-9(10)13-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGWOFTXOOBHKZIP-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.48
Rot. Bonds5

About 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene

4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene (PubChem CID 53216998) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
PubChem CID53216998
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(Br)ccc1OC
InChIInChI=1S/C10H13BrO3/c1-12-5-6-14-10-7-8(11)3-4-9(10)13-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGWOFTXOOBHKZIP-UHFFFAOYSA-N
XLogP2.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
CID 66602625
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
CID 146460696
5-(5-bromo-2-methoxyphenoxy)pentan-1-ol
CID 155928755
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
CID 43141619
2-[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenoxy]acetonitrile
CID 155271031
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298
6-(5-bromo-2-methoxyphenoxy)hexanenitrile
CID 91655464
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene
CID 132511511
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
4-bromo-1,2-dibutoxybenzene
CID 10870333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene?
The IUPAC name of 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene (CID 53216998) is 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene?
The canonical SMILES for 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene is COCCOc1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene?
The InChIKey is GWOFTXOOBHKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-12-5-6-14-10-7-8(11)3-4-9(10)13-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene?
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene has a molecular weight of 261.11 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene is sourced from PubChem (CID 53216998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).