1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene

C11H15BrO2S — CID 60733175

IUPAC1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
SMILESCOCCSCCOc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO2S/c1-13-6-8-15-9-7-14-11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyGIWDZBOQTQSPID-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.21
Rot. Bonds7

About 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene

1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene (PubChem CID 60733175) has the molecular formula C11H15BrO2S and a molecular weight of 291.21 g/mol. Its IUPAC name is 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
PubChem CID60733175
Molecular FormulaC11H15BrO2S
Molecular Weight291.21 g/mol
Exact Mass290.00
IUPAC Name1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
SMILESCOCCSCCOc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO2S/c1-13-6-8-15-9-7-14-11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyGIWDZBOQTQSPID-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.21
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

1-bromo-4-(2-pentylsulfanylethoxy)benzene
CID 107754232
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563
methyl 3-[2-(4-bromophenoxy)ethylsulfanyl]propanoate
CID 60643410
tert-butyl 2-[2-(4-bromophenoxy)ethylsulfanyl]acetate
CID 116687437
2-[2-(4-bromophenoxy)ethylsulfanyl]propan-1-amine
CID 66243938
1-bromo-4-(2-butan-2-ylsulfanylethoxy)benzene
CID 60624906
4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
CID 112815261
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
CID 60623467
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
[4-[3-(3-methoxypropylsulfanyl)propoxy]phenyl]methanamine
CID 63857035

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene?
The IUPAC name of 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene (CID 60733175) is 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene.
What is the SMILES notation for 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene?
The canonical SMILES for 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene is COCCSCCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene?
The InChIKey is GIWDZBOQTQSPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2S/c1-13-6-8-15-9-7-14-11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene?
1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene has a molecular weight of 291.21 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene is sourced from PubChem (CID 60733175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).