1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene

C15H14Br2O2 — CID 171578951

IUPAC1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
SMILESBrc1ccccc1COCCOc1ccccc1Br
InChIInChI=1S/C15H14Br2O2/c16-13-6-2-1-5-12(13)11-18-9-10-19-15-8-4-3-7-14(15)17/h1-8H,9-11H2
InChIKeyRFBTUOGEYMIPJI-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.81
Rot. Bonds6

About 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene

1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene (PubChem CID 171578951) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
PubChem CID171578951
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
SMILESBrc1ccccc1COCCOc1ccccc1Br
InChIInChI=1S/C15H14Br2O2/c16-13-6-2-1-5-12(13)11-18-9-10-19-15-8-4-3-7-14(15)17/h1-8H,9-11H2
InChIKeyRFBTUOGEYMIPJI-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 135207242
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-[3-[(2-bromophenyl)methoxy]propoxy]benzonitrile
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1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
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CID 171066438
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CID 82804127
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
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CID 60665314

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene?
The IUPAC name of 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene (CID 171578951) is 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene?
The canonical SMILES for 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene is Brc1ccccc1COCCOc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene?
The InChIKey is RFBTUOGEYMIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c16-13-6-2-1-5-12(13)11-18-9-10-19-15-8-4-3-7-14(15)17/h1-8H,9-11H2.
What are the key properties of 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene?
1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene has a molecular weight of 386.08 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene is sourced from PubChem (CID 171578951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).