1-bromo-4-methylbenzene;2,3-dihydrofuran

C11H13BrO — CID 159356760

IUPAC1-bromo-4-methylbenzene;2,3-dihydrofuran
SMILESC1=COCC1.Cc1ccc(Br)cc1
InChIInChI=1S/C7H7Br.C4H6O/c1-6-2-4-7(8)5-3-6;1-2-4-5-3-1/h2-5H,1H3;1,3H,2,4H2
InChIKeyLIADRYUDICTXQN-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.68
Rot. Bonds

About 1-bromo-4-methylbenzene;2,3-dihydrofuran

1-bromo-4-methylbenzene;2,3-dihydrofuran (PubChem CID 159356760) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-4-methylbenzene;2,3-dihydrofuran.

Molecular Properties

Compound Name1-bromo-4-methylbenzene;2,3-dihydrofuran
PubChem CID159356760
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-4-methylbenzene;2,3-dihydrofuran
SMILESC1=COCC1.Cc1ccc(Br)cc1
InChIInChI=1S/C7H7Br.C4H6O/c1-6-2-4-7(8)5-3-6;1-2-4-5-3-1/h2-5H,1H3;1,3H,2,4H2
InChIKeyLIADRYUDICTXQN-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylbenzene;2,3-dihydrofuran?
The IUPAC name of 1-bromo-4-methylbenzene;2,3-dihydrofuran (CID 159356760) is 1-bromo-4-methylbenzene;2,3-dihydrofuran.
What is the SMILES notation for 1-bromo-4-methylbenzene;2,3-dihydrofuran?
The canonical SMILES for 1-bromo-4-methylbenzene;2,3-dihydrofuran is C1=COCC1.Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-methylbenzene;2,3-dihydrofuran?
The InChIKey is LIADRYUDICTXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br.C4H6O/c1-6-2-4-7(8)5-3-6;1-2-4-5-3-1/h2-5H,1H3;1,3H,2,4H2.
What are the key properties of 1-bromo-4-methylbenzene;2,3-dihydrofuran?
1-bromo-4-methylbenzene;2,3-dihydrofuran has a molecular weight of 241.13 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylbenzene;2,3-dihydrofuran is sourced from PubChem (CID 159356760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).