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

C11H15BrO — CID 3733898

IUPAC4-bromo-2-tert-butyl-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C11H15BrO/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7H,1-4H3
InChIKeyMJRUSXKALHWNDH-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.76
Rot. Bonds1

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

4-bromo-2-tert-butyl-1-methoxybenzene (PubChem CID 3733898) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-1-methoxybenzene
PubChem CID3733898
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name4-bromo-2-tert-butyl-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C11H15BrO/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7H,1-4H3
InChIKeyMJRUSXKALHWNDH-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-1-methoxybenzene?
The IUPAC name of 4-bromo-2-tert-butyl-1-methoxybenzene (CID 3733898) is 4-bromo-2-tert-butyl-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-tert-butyl-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-tert-butyl-1-methoxybenzene is COc1ccc(Br)cc1C(C)(C)C.
What is the InChIKey of 4-bromo-2-tert-butyl-1-methoxybenzene?
The InChIKey is MJRUSXKALHWNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7H,1-4H3.
What are the key properties of 4-bromo-2-tert-butyl-1-methoxybenzene?
4-bromo-2-tert-butyl-1-methoxybenzene has a molecular weight of 243.14 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-1-methoxybenzene is sourced from PubChem (CID 3733898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).