4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene

C15H14BrClO2 — CID 63427198

IUPAC4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene
SMILESCOc1cccc(C(Cl)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H14BrClO2/c1-18-12-5-3-4-10(8-12)15(17)13-9-11(16)6-7-14(13)19-2/h3-9,15H,1-2H3
InChIKeyKINAPMWMHRFAGE-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.79
Rot. Bonds4

About 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene

4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene (PubChem CID 63427198) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene
PubChem CID63427198
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene
SMILESCOc1cccc(C(Cl)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H14BrClO2/c1-18-12-5-3-4-10(8-12)15(17)13-9-11(16)6-7-14(13)19-2/h3-9,15H,1-2H3
InChIKeyKINAPMWMHRFAGE-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.79
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

4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
2-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983422
1-bromo-3-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylbenzene
CID 113460980
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
1-bromo-2-[(3-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432172
4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
CID 55198482
1-bromo-4-[chloro-(3-methoxyphenyl)methyl]naphthalene
CID 79591185
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene (CID 63427198) is 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene is COc1cccc(C(Cl)c2cc(Br)ccc2OC)c1.
What is the InChIKey of 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene?
The InChIKey is KINAPMWMHRFAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-12-5-3-4-10(8-12)15(17)13-9-11(16)6-7-14(13)19-2/h3-9,15H,1-2H3.
What are the key properties of 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene?
4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene has a molecular weight of 341.63 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 63427198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).