1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene

C16H16Br2O2 — CID 43366838

IUPAC1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene
SMILESCCOc1cccc(CBr)c1OCc1ccccc1Br
InChIInChI=1S/C16H16Br2O2/c1-2-19-15-9-5-7-12(10-17)16(15)20-11-13-6-3-4-8-14(13)18/h3-9H,2,10-11H2,1H3
InChIKeyYVKKRCFBBZDCOA-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.32
Rot. Bonds6

About 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene

1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene (PubChem CID 43366838) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene
PubChem CID43366838
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene
SMILESCCOc1cccc(CBr)c1OCc1ccccc1Br
InChIInChI=1S/C16H16Br2O2/c1-2-19-15-9-5-7-12(10-17)16(15)20-11-13-6-3-4-8-14(13)18/h3-9H,2,10-11H2,1H3
InChIKeyYVKKRCFBBZDCOA-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.32
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

2-[[2-(bromomethyl)-6-ethoxyphenoxy]methyl]benzonitrile
CID 43366847
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
CID 43659013
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
2-[2-(bromomethyl)-6-ethoxyphenoxy]acetonitrile
CID 43366835
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
CID 43324658
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
1-(bromomethyl)-3-ethoxy-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410402
[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
1-(bromomethyl)-3-ethoxy-2-(2-ethylhexoxy)benzene
CID 63536030
2-bromo-6-ethoxybenzenethiol
CID 91874370
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene (CID 43366838) is 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene is CCOc1cccc(CBr)c1OCc1ccccc1Br.
What is the InChIKey of 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene?
The InChIKey is YVKKRCFBBZDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-2-19-15-9-5-7-12(10-17)16(15)20-11-13-6-3-4-8-14(13)18/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene?
1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene has a molecular weight of 400.11 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene is sourced from PubChem (CID 43366838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).