1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene

C16H16BrClO2 — CID 28555321

IUPAC1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
SMILESCCOc1cc(CCl)ccc1OCc1ccccc1Br
InChIInChI=1S/C16H16BrClO2/c1-2-19-16-9-12(10-18)7-8-15(16)20-11-13-5-3-4-6-14(13)17/h3-9H,2,10-11H2,1H3
InChIKeyIEPMRUULYVUWLY-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.17
Rot. Bonds6

About 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene

1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene (PubChem CID 28555321) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene.

Molecular Properties

Compound Name1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
PubChem CID28555321
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
SMILESCCOc1cc(CCl)ccc1OCc1ccccc1Br
InChIInChI=1S/C16H16BrClO2/c1-2-19-16-9-12(10-18)7-8-15(16)20-11-13-5-3-4-6-14(13)17/h3-9H,2,10-11H2,1H3
InChIKeyIEPMRUULYVUWLY-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.17
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

4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
CID 43324658
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 63535667
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
CID 105372168
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
CID 29009783
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
CID 107306903
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
2-[[3,4-bis[(2-bromophenyl)methoxy]phenyl]methyl]-3H-1,2,4-oxadiazole
CID 141114585
2-[[2-bromo-4-(chloromethyl)phenoxy]methyl]benzonitrile
CID 63050960
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene?
The IUPAC name of 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene (CID 28555321) is 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene.
What is the SMILES notation for 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene?
The canonical SMILES for 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene is CCOc1cc(CCl)ccc1OCc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene?
The InChIKey is IEPMRUULYVUWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-2-19-16-9-12(10-18)7-8-15(16)20-11-13-5-3-4-6-14(13)17/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene?
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene has a molecular weight of 355.66 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene is sourced from PubChem (CID 28555321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).