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

C21H17NO2 — CID 11638242

IUPAC1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESNc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C21H17NO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12,22H2
InChIKeyYVWMSUSLLTXXJV-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.20
Rot. Bonds2

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

1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol (PubChem CID 11638242) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol
PubChem CID11638242
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESNc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C21H17NO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12,22H2
InChIKeyYVWMSUSLLTXXJV-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The IUPAC name of 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol (CID 11638242) is 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol is Nc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The InChIKey is YVWMSUSLLTXXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12,22H2.
What are the key properties of 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol has a molecular weight of 315.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol is sourced from PubChem (CID 11638242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).