1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene

C15H14BrClO2 — CID 102939932

IUPAC1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
SMILESClCc1cccc(Br)c1OCOCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c16-14-8-4-7-13(9-17)15(14)19-11-18-10-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyMEQORCGXOVJXMT-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.74
Rot. Bonds6

About 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene

1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene (PubChem CID 102939932) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
PubChem CID102939932
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
SMILESClCc1cccc(Br)c1OCOCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c16-14-8-4-7-13(9-17)15(14)19-11-18-10-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyMEQORCGXOVJXMT-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

(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
1-bromo-2-[(4-tert-butylphenyl)methoxy]-3-(chloromethyl)benzene
CID 63534527
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
CID 63534198
1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene
CID 80694612
[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol
CID 102939875
1-bromo-3-(chloromethyl)-2-(2,2-difluoro-2-phenylethoxy)benzene
CID 116789802
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
1-bromo-3-[4-[3-bromo-2-(ethoxymethoxy)phenyl]butyl]-2-(ethoxymethoxy)benzene
CID 164911940
1-bromo-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564252

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene?
The IUPAC name of 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene (CID 102939932) is 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene?
The canonical SMILES for 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene is ClCc1cccc(Br)c1OCOCc1ccccc1.
What is the InChIKey of 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene?
The InChIKey is MEQORCGXOVJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c16-14-8-4-7-13(9-17)15(14)19-11-18-10-12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene?
1-bromo-3-(chloromethyl)-2-(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 1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene is sourced from PubChem (CID 102939932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).