2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene

C15H14BrClO2 — CID 114062642

IUPAC2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene
SMILESCOCc1cccc(Oc2ccc(CCl)cc2Br)c1
InChIInChI=1S/C15H14BrClO2/c1-18-10-12-3-2-4-13(7-12)19-15-6-5-11(9-17)8-14(15)16/h2-8H,9-10H2,1H3
InChIKeyQLYAAPMAUPJQPK-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.13
Rot. Bonds5

About 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene

2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene (PubChem CID 114062642) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene.

Molecular Properties

Compound Name2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene
PubChem CID114062642
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene
SMILESCOCc1cccc(Oc2ccc(CCl)cc2Br)c1
InChIInChI=1S/C15H14BrClO2/c1-18-10-12-3-2-4-13(7-12)19-15-6-5-11(9-17)8-14(15)16/h2-8H,9-10H2,1H3
InChIKeyQLYAAPMAUPJQPK-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
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

3-bromo-4-[3-(methoxymethyl)phenoxy]benzonitrile
CID 82804116
3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide
CID 63985144
4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
CID 139463113
1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 112594445
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
CID 81151403
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene?
The IUPAC name of 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene (CID 114062642) is 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene.
What is the SMILES notation for 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene?
The canonical SMILES for 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene is COCc1cccc(Oc2ccc(CCl)cc2Br)c1.
What is the InChIKey of 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene?
The InChIKey is QLYAAPMAUPJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-10-12-3-2-4-13(7-12)19-15-6-5-11(9-17)8-14(15)16/h2-8H,9-10H2,1H3.
What are the key properties of 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene?
2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene has a molecular weight of 341.63 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene is sourced from PubChem (CID 114062642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).