5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol

C14H11BrO2 — CID 101428556

IUPAC5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol
SMILESOc1c(-c2ccc(Br)cc2)ccc2c1COC2
InChIInChI=1S/C14H11BrO2/c15-11-4-1-9(2-5-11)12-6-3-10-7-17-8-13(10)14(12)16/h1-6,16H,7-8H2
InChIKeyQDYKKMAEJXPSAM-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.85
Rot. Bonds1

About 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol

5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol (PubChem CID 101428556) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol
PubChem CID101428556
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol
SMILESOc1c(-c2ccc(Br)cc2)ccc2c1COC2
InChIInChI=1S/C14H11BrO2/c15-11-4-1-9(2-5-11)12-6-3-10-7-17-8-13(10)14(12)16/h1-6,16H,7-8H2
InChIKeyQDYKKMAEJXPSAM-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol?
The IUPAC name of 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol (CID 101428556) is 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol.
What is the SMILES notation for 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol?
The canonical SMILES for 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol is Oc1c(-c2ccc(Br)cc2)ccc2c1COC2.
What is the InChIKey of 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol?
The InChIKey is QDYKKMAEJXPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-11-4-1-9(2-5-11)12-6-3-10-7-17-8-13(10)14(12)16/h1-6,16H,7-8H2.
What are the key properties of 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol?
5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol has a molecular weight of 291.14 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1,3-dihydro-2-benzofuran-4-ol is sourced from PubChem (CID 101428556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).