1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene

C13H19BrO — CID 59309470

IUPAC1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
SMILESCCc1cc(OC)c(C(C)(C)C)cc1Br
InChIInChI=1S/C13H19BrO/c1-6-9-7-12(15-5)10(8-11(9)14)13(2,3)4/h7-8H,6H2,1-5H3
InChIKeyVWSXDECZFWWPJY-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.32
Rot. Bonds2

About 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene

1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene (PubChem CID 59309470) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
PubChem CID59309470
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
SMILESCCc1cc(OC)c(C(C)(C)C)cc1Br
InChIInChI=1S/C13H19BrO/c1-6-9-7-12(15-5)10(8-11(9)14)13(2,3)4/h7-8H,6H2,1-5H3
InChIKeyVWSXDECZFWWPJY-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 59309473
tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate
CID 59309479
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene
CID 168868572
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
2-(4-tert-butyl-2,5-dimethoxyphenyl)acetonitrile
CID 117338385
2-[2-bromo-5-methoxy-4-(trifluoromethyl)phenyl]acetonitrile
CID 171008450
1-bromo-4-ethoxy-2,5-diethylbenzene
CID 146408869
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
4-tert-butyl-5-methoxy-2-methylaniline
CID 59687322

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene?
The IUPAC name of 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene (CID 59309470) is 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene is CCc1cc(OC)c(C(C)(C)C)cc1Br.
What is the InChIKey of 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene?
The InChIKey is VWSXDECZFWWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-6-9-7-12(15-5)10(8-11(9)14)13(2,3)4/h7-8H,6H2,1-5H3.
What are the key properties of 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene?
1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene has a molecular weight of 271.20 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene is sourced from PubChem (CID 59309470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).