5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene

C15H14BrClO2 — CID 146277743

IUPAC5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
SMILESCOc1cc(Br)cc(CCl)c1OCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c1-18-14-8-13(16)7-12(9-17)15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyAUKZHUNUSKCEKZ-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.78
Rot. Bonds5

About 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene

5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene (PubChem CID 146277743) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene.

Molecular Properties

Compound Name5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
PubChem CID146277743
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
SMILESCOc1cc(Br)cc(CCl)c1OCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c1-18-14-8-13(16)7-12(9-17)15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyAUKZHUNUSKCEKZ-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.78
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

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 17156891
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 17208752
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17157325
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209150
2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
CID 164893025
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dibutylpropane-1,3-diamine;dihydrochloride
CID 17214854
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
2-[5-bromo-3-(cyanomethyl)-2-phenylmethoxyphenyl]acetonitrile
CID 123197121
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene?
The IUPAC name of 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene (CID 146277743) is 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene.
What is the SMILES notation for 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene?
The canonical SMILES for 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene is COc1cc(Br)cc(CCl)c1OCc1ccccc1.
What is the InChIKey of 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene?
The InChIKey is AUKZHUNUSKCEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-14-8-13(16)7-12(9-17)15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene?
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene has a molecular weight of 341.63 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene is sourced from PubChem (CID 146277743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).