1-bromo-4-(3-methylbutoxy)benzene

C11H15BrO — CID 14716142

IUPAC1-bromo-4-(3-methylbutoxy)benzene
SMILESCC(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyXQTBEQSXZMOBIY-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.87
Rot. Bonds4

About 1-bromo-4-(3-methylbutoxy)benzene

1-bromo-4-(3-methylbutoxy)benzene (PubChem CID 14716142) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-bromo-4-(3-methylbutoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-methylbutoxy)benzene
PubChem CID14716142
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-bromo-4-(3-methylbutoxy)benzene
SMILESCC(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyXQTBEQSXZMOBIY-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-methylbutoxy)benzene?
The IUPAC name of 1-bromo-4-(3-methylbutoxy)benzene (CID 14716142) is 1-bromo-4-(3-methylbutoxy)benzene.
What is the SMILES notation for 1-bromo-4-(3-methylbutoxy)benzene?
The canonical SMILES for 1-bromo-4-(3-methylbutoxy)benzene is CC(C)CCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3-methylbutoxy)benzene?
The InChIKey is XQTBEQSXZMOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-bromo-4-(3-methylbutoxy)benzene?
1-bromo-4-(3-methylbutoxy)benzene has a molecular weight of 243.14 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-methylbutoxy)benzene is sourced from PubChem (CID 14716142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).