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

C15H14BrClO2 — CID 102939906

IUPAC4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
SMILESClCc1cc(Br)ccc1OCOCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c16-14-6-7-15(13(8-14)9-17)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyAJFXBBPBIARNHS-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.74
Rot. Bonds6

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

4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene (PubChem CID 102939906) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
PubChem CID102939906
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
SMILESClCc1cc(Br)ccc1OCOCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c16-14-6-7-15(13(8-14)9-17)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyAJFXBBPBIARNHS-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-bromo-2-(phenylmethoxymethoxy)phenyl]ethanamine
CID 102939496
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
CID 102939932
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
2-(bromomethyl)-4-methyl-1-(phenylmethoxymethoxy)benzene
CID 102939941
(1R)-1-[4-bromo-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102948849
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-3,5-difluorobenzene
CID 105404283
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
CID 22503230
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
4-bromo-2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]thiophene
CID 63534490

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene (CID 102939906) is 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene is ClCc1cc(Br)ccc1OCOCc1ccccc1.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene?
The InChIKey is AJFXBBPBIARNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c16-14-6-7-15(13(8-14)9-17)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11H2.
What are the key properties of 4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene?
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene has a molecular weight of 341.63 g/mol, XLogP of 4.74, 6 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-(phenylmethoxymethoxy)benzene is sourced from PubChem (CID 102939906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).