1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene

C15H14BrClO3 — CID 20631724

IUPAC1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(Oc2ccc(Br)cc2CCl)c1
InChIInChI=1S/C15H14BrClO3/c1-18-12-6-13(19-2)8-14(7-12)20-15-4-3-11(16)5-10(15)9-17/h3-8H,9H2,1-2H3
InChIKeyFSXVSZBKWGSGCD-UHFFFAOYSA-N
MW357.63 g/mol
LogP5.00
Rot. Bonds5

About 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene

1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene (PubChem CID 20631724) has the molecular formula C15H14BrClO3 and a molecular weight of 357.63 g/mol. Its IUPAC name is 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene
PubChem CID20631724
Molecular FormulaC15H14BrClO3
Molecular Weight357.63 g/mol
Exact Mass355.98
IUPAC Name1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(Oc2ccc(Br)cc2CCl)c1
InChIInChI=1S/C15H14BrClO3/c1-18-12-6-13(19-2)8-14(7-12)20-15-4-3-11(16)5-10(15)9-17/h3-8H,9H2,1-2H3
InChIKeyFSXVSZBKWGSGCD-UHFFFAOYSA-N
XLogP5.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
CID 114061651
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
3-(4-bromo-2-methylphenoxy)-5-methoxyaniline
CID 80749253
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene?
The IUPAC name of 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene (CID 20631724) is 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene is COc1cc(OC)cc(Oc2ccc(Br)cc2CCl)c1.
What is the InChIKey of 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene?
The InChIKey is FSXVSZBKWGSGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO3/c1-18-12-6-13(19-2)8-14(7-12)20-15-4-3-11(16)5-10(15)9-17/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene?
1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene has a molecular weight of 357.63 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene is sourced from PubChem (CID 20631724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).