2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene

C16H15Br3O — CID 107958857

IUPAC2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
SMILESCCOc1ccc(C)cc1C(Br)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br3O/c1-3-20-15-7-4-10(2)8-13(15)16(19)12-6-5-11(17)9-14(12)18/h4-9,16H,3H2,1-2H3
InChIKeyRAURXRRWGPGZQU-UHFFFAOYSA-N
MW463.01 g/mol
LogP6.40
Rot. Bonds4

About 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene

2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene (PubChem CID 107958857) has the molecular formula C16H15Br3O and a molecular weight of 463.01 g/mol. Its IUPAC name is 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
PubChem CID107958857
Molecular FormulaC16H15Br3O
Molecular Weight463.01 g/mol
Exact Mass459.87
IUPAC Name2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
SMILESCCOc1ccc(C)cc1C(Br)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br3O/c1-3-20-15-7-4-10(2)8-13(15)16(19)12-6-5-11(17)9-14(12)18/h4-9,16H,3H2,1-2H3
InChIKeyRAURXRRWGPGZQU-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.01
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
2-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447968
(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43311344
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365
2-[1-bromo-2-(3-bromophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447563
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
CID 107980915
4-bromo-2-[chloro-(4-methylphenyl)methyl]-1-ethoxybenzene
CID 63434314
(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 107979822
(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466
2,5-dibromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]thiophene
CID 107964720

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene?
The IUPAC name of 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene (CID 107958857) is 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene is CCOc1ccc(C)cc1C(Br)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene?
The InChIKey is RAURXRRWGPGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br3O/c1-3-20-15-7-4-10(2)8-13(15)16(19)12-6-5-11(17)9-14(12)18/h4-9,16H,3H2,1-2H3.
What are the key properties of 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene?
2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene has a molecular weight of 463.01 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene is sourced from PubChem (CID 107958857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).