4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol

C18H19BrO3 — CID 135153951

IUPAC4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol
SMILESCc1ccc(-c2c(CCC(C)(C)O)oc3ccc(Br)cc23)o1
InChIInChI=1S/C18H19BrO3/c1-11-4-6-15(21-11)17-13-10-12(19)5-7-14(13)22-16(17)8-9-18(2,3)20/h4-7,10,20H,8-9H2,1-3H3
InChIKeyOEGSJBDRGGGFQM-UHFFFAOYSA-N
MW363.25 g/mol
LogP5.47
Rot. Bonds4

About 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol

4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol (PubChem CID 135153951) has the molecular formula C18H19BrO3 and a molecular weight of 363.25 g/mol. Its IUPAC name is 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol
PubChem CID135153951
Molecular FormulaC18H19BrO3
Molecular Weight363.25 g/mol
Exact Mass362.05
IUPAC Name4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol
SMILESCc1ccc(-c2c(CCC(C)(C)O)oc3ccc(Br)cc23)o1
InChIInChI=1S/C18H19BrO3/c1-11-4-6-15(21-11)17-13-10-12(19)5-7-14(13)22-16(17)8-9-18(2,3)20/h4-7,10,20H,8-9H2,1-3H3
InChIKeyOEGSJBDRGGGFQM-UHFFFAOYSA-N
XLogP5.47
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.25
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol (CID 135153951) is 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol is Cc1ccc(-c2c(CCC(C)(C)O)oc3ccc(Br)cc23)o1.
What is the InChIKey of 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol?
The InChIKey is OEGSJBDRGGGFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO3/c1-11-4-6-15(21-11)17-13-10-12(19)5-7-14(13)22-16(17)8-9-18(2,3)20/h4-7,10,20H,8-9H2,1-3H3.
What are the key properties of 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol?
4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol has a molecular weight of 363.25 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 135153951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).