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

C21H16O3 — CID 11638264

IUPAC1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C21H16O3/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/h1-11,22-24H,12H2
InChIKeyPTZCIKOPLAEWTE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.32
Rot. Bonds2

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

1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol (PubChem CID 11638264) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol.

Molecular Properties

Compound Name1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol
PubChem CID11638264
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C21H16O3/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/h1-11,22-24H,12H2
InChIKeyPTZCIKOPLAEWTE-UHFFFAOYSA-N
XLogP4.32
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2-Naphthol
CID 8663
Dienestrol
CID 667476
1-Naphthol
CID 7005
Magnolol
CID 72300
Hexestrol
CID 192197
Masoprocol
CID 71398
3,4-Dimethylphenol
CID 7249
Bisphenol B
CID 66166
Bis(4-hydroxyphenyl)methane
CID 12111
4-Cumylphenol
CID 11742

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol?
The IUPAC name of 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol (CID 11638264) is 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol.
What is the SMILES notation for 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol?
The canonical SMILES for 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol is Oc1ccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)cc1.
What is the InChIKey of 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol?
The InChIKey is PTZCIKOPLAEWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/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/h1-11,22-24H,12H2.
What are the key properties of 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol?
1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol has a molecular weight of 316.36 g/mol, XLogP of 4.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol is sourced from PubChem (CID 11638264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).