1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene

C17H19BrO2 — CID 63441977

IUPAC1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene
SMILESCOc1ccc(C(Br)c2cc(C)cc(C)c2)c(OC)c1
InChIInChI=1S/C17H19BrO2/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-10,17H,1-4H3
InChIKeyKFSUVKPWOCUDCD-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.80
Rot. Bonds4

About 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene

1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene (PubChem CID 63441977) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene
PubChem CID63441977
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene
SMILESCOc1ccc(C(Br)c2cc(C)cc(C)c2)c(OC)c1
InChIInChI=1S/C17H19BrO2/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-10,17H,1-4H3
InChIKeyKFSUVKPWOCUDCD-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-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
CID 81324228
1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
CID 63442063
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 81324965
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
1-[bromo-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438702
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
2,5-dibromo-3-[bromo-(2,4-dimethoxyphenyl)methyl]thiophene
CID 63442769
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
1-(3-bromo-4-methylpentan-2-yl)-2,4-dimethoxybenzene
CID 79298002

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene (CID 63441977) is 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene is COc1ccc(C(Br)c2cc(C)cc(C)c2)c(OC)c1.
What is the InChIKey of 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene?
The InChIKey is KFSUVKPWOCUDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-10,17H,1-4H3.
What are the key properties of 1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene?
1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene 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-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 63441977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).