4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene

C15H14BrClO2 — CID 114061651

IUPAC4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
SMILESCCOc1ccccc1Oc1ccc(Br)cc1CCl
InChIInChI=1S/C15H14BrClO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-7-12(16)9-11(13)10-17/h3-9H,2,10H2,1H3
InChIKeyRXMBXNNTRAMIKU-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.38
Rot. Bonds5

About 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene

4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene (PubChem CID 114061651) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
PubChem CID114061651
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
SMILESCCOc1ccccc1Oc1ccc(Br)cc1CCl
InChIInChI=1S/C15H14BrClO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-7-12(16)9-11(13)10-17/h3-9H,2,10H2,1H3
InChIKeyRXMBXNNTRAMIKU-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 55.38
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-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
CID 43365212
1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene
CID 20631724
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
4-bromo-2-(2-butan-2-ylphenoxy)-1-(chloromethyl)benzene
CID 63566959
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene (CID 114061651) is 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene is CCOc1ccccc1Oc1ccc(Br)cc1CCl.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene?
The InChIKey is RXMBXNNTRAMIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-7-12(16)9-11(13)10-17/h3-9H,2,10H2,1H3.
What are the key properties of 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene?
4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene has a molecular weight of 341.63 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene is sourced from PubChem (CID 114061651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).