1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene

C16H16BrClO2 — CID 81324228

IUPAC1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(C)cc(Cl)c2)c(OC)c1
InChIInChI=1S/C16H16BrClO2/c1-10-6-11(8-12(18)7-10)16(17)14-5-4-13(19-2)9-15(14)20-3/h4-9,16H,1-3H3
InChIKeyGKDHFEZUCLJAKL-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.15
Rot. Bonds4

About 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene

1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene (PubChem CID 81324228) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
PubChem CID81324228
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(C)cc(Cl)c2)c(OC)c1
InChIInChI=1S/C16H16BrClO2/c1-10-6-11(8-12(18)7-10)16(17)14-5-4-13(19-2)9-15(14)20-3/h4-9,16H,1-3H3
InChIKeyGKDHFEZUCLJAKL-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.15
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

1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene
CID 63441977
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 81324965
1-[bromo-(4-methoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324402
1-[bromo-(3,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438831
1-[(2-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81324400
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
1-[bromo-(2,4-dimethoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 82771219
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
CID 81324147
1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
CID 63442063
1-[bromo-(4-ethoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324561
1-(3-chloro-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81323002
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene (CID 81324228) is 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene is COc1ccc(C(Br)c2cc(C)cc(Cl)c2)c(OC)c1.
What is the InChIKey of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
The InChIKey is GKDHFEZUCLJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10-6-11(8-12(18)7-10)16(17)14-5-4-13(19-2)9-15(14)20-3/h4-9,16H,1-3H3.
What are the key properties of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene has a molecular weight of 355.66 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 81324228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).