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

C15H20BrClO — CID 66476585

IUPAC4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)C2C(C)(C)C2(C)C)cc1Cl
InChIInChI=1S/C15H20BrClO/c1-14(2)13(15(14,3)4)12(16)9-6-7-11(18-5)10(17)8-9/h6-8,12-13H,1-5H3
InChIKeyBHEIOXRETJAGCK-UHFFFAOYSA-N
MW331.68 g/mol
LogP5.47
Rot. Bonds3

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

4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene (PubChem CID 66476585) has the molecular formula C15H20BrClO and a molecular weight of 331.68 g/mol. Its IUPAC name is 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene.

Molecular Properties

Compound Name4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene
PubChem CID66476585
Molecular FormulaC15H20BrClO
Molecular Weight331.68 g/mol
Exact Mass330.04
IUPAC Name4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)C2C(C)(C)C2(C)C)cc1Cl
InChIInChI=1S/C15H20BrClO/c1-14(2)13(15(14,3)4)12(16)9-6-7-11(18-5)10(17)8-9/h6-8,12-13H,1-5H3
InChIKeyBHEIOXRETJAGCK-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.68
LogP ≤ 55.47
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

N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477445
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
CID 103514473
3-[bromo-(3-chloro-4-methoxyphenyl)methyl]oxolane
CID 61277302
4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene
CID 66476577
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
CID 63439421
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene?
The IUPAC name of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene (CID 66476585) is 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene.
What is the SMILES notation for 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene?
The canonical SMILES for 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene is COc1ccc(C(Br)C2C(C)(C)C2(C)C)cc1Cl.
What is the InChIKey of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene?
The InChIKey is BHEIOXRETJAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO/c1-14(2)13(15(14,3)4)12(16)9-6-7-11(18-5)10(17)8-9/h6-8,12-13H,1-5H3.
What are the key properties of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene?
4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene has a molecular weight of 331.68 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene is sourced from PubChem (CID 66476585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).