4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene

C15H20Br2O — CID 66476577

IUPAC4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Br)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H20Br2O/c1-14(2)13(15(14,3)4)12(17)10-8-9(16)6-7-11(10)18-5/h6-8,12-13H,1-5H3
InChIKeyMWBHEBLTPHYSQE-UHFFFAOYSA-N
MW376.13 g/mol
LogP5.58
Rot. Bonds3

About 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene

4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene (PubChem CID 66476577) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene
PubChem CID66476577
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Br)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H20Br2O/c1-14(2)13(15(14,3)4)12(17)10-8-9(16)6-7-11(10)18-5/h6-8,12-13H,1-5H3
InChIKeyMWBHEBLTPHYSQE-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.13
LogP ≤ 55.58
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

1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475724
1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene
CID 66476769
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene
CID 66476585
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]adamantane
CID 63435492
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
4-bromo-2-(1-bromo-3,3-dimethylbutyl)-1-methoxybenzene
CID 63435538
4-bromo-2-(1-bromo-2-cyclopropylpropyl)-1-methoxybenzene
CID 83148078
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-3-methylthiophene
CID 63435889
3-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63435532
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene (CID 66476577) is 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene is COc1ccc(Br)cc1C(Br)C1C(C)(C)C1(C)C.
What is the InChIKey of 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene?
The InChIKey is MWBHEBLTPHYSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-14(2)13(15(14,3)4)12(17)10-8-9(16)6-7-11(10)18-5/h6-8,12-13H,1-5H3.
What are the key properties of 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene?
4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene has a molecular weight of 376.13 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 66476577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).