4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol

C11H13BrO2 — CID 14484955

IUPAC4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(c(Br)c1O)CCO2
InChIInChI=1S/C11H13BrO2/c1-2-3-7-6-9-8(4-5-14-9)10(12)11(7)13/h6,13H,2-5H2,1H3
InChIKeyMJUWLUKLDBOLMR-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.04
Rot. Bonds2

About 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol

4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484955) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484955
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(c(Br)c1O)CCO2
InChIInChI=1S/C11H13BrO2/c1-2-3-7-6-9-8(4-5-14-9)10(12)11(7)13/h6,13H,2-5H2,1H3
InChIKeyMJUWLUKLDBOLMR-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484955) is 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCc1cc2c(c(Br)c1O)CCO2.
What is the InChIKey of 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is MJUWLUKLDBOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-2-3-7-6-9-8(4-5-14-9)10(12)11(7)13/h6,13H,2-5H2,1H3.
What are the key properties of 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 257.13 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).