5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol

C15H12O3 — CID 174312135

IUPAC5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(C2=Cc3ccc(O)cc3C2)c1
InChIInChI=1S/C15H12O3/c16-13-2-1-9-3-10(4-11(9)5-13)12-6-14(17)8-15(18)7-12/h1-3,5-8,16-18H,4H2
InChIKeyMBDNITRVHHLWMH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.90
Rot. Bonds1

About 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol

5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol (PubChem CID 174312135) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol
PubChem CID174312135
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(C2=Cc3ccc(O)cc3C2)c1
InChIInChI=1S/C15H12O3/c16-13-2-1-9-3-10(4-11(9)5-13)12-6-14(17)8-15(18)7-12/h1-3,5-8,16-18H,4H2
InChIKeyMBDNITRVHHLWMH-UHFFFAOYSA-N
XLogP2.90
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol (CID 174312135) is 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol is Oc1cc(O)cc(C2=Cc3ccc(O)cc3C2)c1.
What is the InChIKey of 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol?
The InChIKey is MBDNITRVHHLWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-13-2-1-9-3-10(4-11(9)5-13)12-6-14(17)8-15(18)7-12/h1-3,5-8,16-18H,4H2.
What are the key properties of 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol?
5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol has a molecular weight of 240.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-1H-inden-2-yl)benzene-1,3-diol is sourced from PubChem (CID 174312135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).