1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene

C17H19BrO2 — CID 63442063

IUPAC1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C17H19BrO2/c1-11-5-6-12(2)15(9-11)17(18)14-8-7-13(19-3)10-16(14)20-4/h5-10,17H,1-4H3
InChIKeyKJTWQPXWFUNHIP-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.80
Rot. Bonds4

About 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene

1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene (PubChem CID 63442063) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
PubChem CID63442063
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C17H19BrO2/c1-11-5-6-12(2)15(9-11)17(18)14-8-7-13(19-3)10-16(14)20-4/h5-10,17H,1-4H3
InChIKeyKJTWQPXWFUNHIP-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.80
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-(2,5-dimethylphenyl)methyl]-4-chloro-2-methoxybenzene
CID 55197809
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene
CID 63441977
1-[bromo-(2,5-dimethylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447999
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
CID 81324228
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
(2,5-dimethylphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101284
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene (CID 63442063) is 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene is COc1ccc(C(Br)c2cc(C)ccc2C)c(OC)c1.
What is the InChIKey of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene?
The InChIKey is KJTWQPXWFUNHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-5-6-12(2)15(9-11)17(18)14-8-7-13(19-3)10-16(14)20-4/h5-10,17H,1-4H3.
What are the key properties of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene?
1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene has a molecular weight of 335.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 63442063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).