2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol

C21H15BrO2 — CID 14146267

IUPAC2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(Br)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C21H15BrO2/c22-16-5-1-13(2-6-16)20-12-15-11-18(24)9-10-19(15)21(20)14-3-7-17(23)8-4-14/h1-11,23-24H,12H2
InChIKeyIYTUMPJTRGKJDZ-UHFFFAOYSA-N
MW379.25 g/mol
LogP5.38
Rot. Bonds2

About 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol

2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol (PubChem CID 14146267) has the molecular formula C21H15BrO2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol
PubChem CID14146267
Molecular FormulaC21H15BrO2
Molecular Weight379.25 g/mol
Exact Mass378.03
IUPAC Name2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(Br)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C21H15BrO2/c22-16-5-1-13(2-6-16)20-12-15-11-18(24)9-10-19(15)21(20)14-3-7-17(23)8-4-14/h1-11,23-24H,12H2
InChIKeyIYTUMPJTRGKJDZ-UHFFFAOYSA-N
XLogP5.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.25
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol?
The IUPAC name of 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol (CID 14146267) is 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol is Oc1ccc(C2=C(c3ccc(Br)cc3)Cc3cc(O)ccc32)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol?
The InChIKey is IYTUMPJTRGKJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO2/c22-16-5-1-13(2-6-16)20-12-15-11-18(24)9-10-19(15)21(20)14-3-7-17(23)8-4-14/h1-11,23-24H,12H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol?
2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol has a molecular weight of 379.25 g/mol, XLogP of 5.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol is sourced from PubChem (CID 14146267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).