1-bromo-3-propan-2-yloxybenzene

C9H11BrO — CID 3260801

IUPAC1-bromo-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
InChIKeyJYWJZIQSPRFCDB-UHFFFAOYSA-N
MW215.09 g/mol
LogP3.24
Rot. Bonds2

About 1-bromo-3-propan-2-yloxybenzene

1-bromo-3-propan-2-yloxybenzene (PubChem CID 3260801) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-bromo-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-bromo-3-propan-2-yloxybenzene
PubChem CID3260801
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-bromo-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
InChIKeyJYWJZIQSPRFCDB-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-yloxybenzene?
The IUPAC name of 1-bromo-3-propan-2-yloxybenzene (CID 3260801) is 1-bromo-3-propan-2-yloxybenzene.
What is the SMILES notation for 1-bromo-3-propan-2-yloxybenzene?
The canonical SMILES for 1-bromo-3-propan-2-yloxybenzene is CC(C)Oc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-propan-2-yloxybenzene?
The InChIKey is JYWJZIQSPRFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3.
What are the key properties of 1-bromo-3-propan-2-yloxybenzene?
1-bromo-3-propan-2-yloxybenzene has a molecular weight of 215.09 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-yloxybenzene is sourced from PubChem (CID 3260801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).