2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol

C28H29NO3 — CID 11247367

IUPAC2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C28H29NO3/c30-23-8-4-20(5-9-23)27-19-22-18-24(31)10-13-26(22)28(27)21-6-11-25(12-7-21)32-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17,19H2
InChIKeyMEFAURHMHWBYCD-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.48
Rot. Bonds6

About 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol

2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol (PubChem CID 11247367) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol
PubChem CID11247367
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C28H29NO3/c30-23-8-4-20(5-9-23)27-19-22-18-24(31)10-13-26(22)28(27)21-6-11-25(12-7-21)32-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17,19H2
InChIKeyMEFAURHMHWBYCD-UHFFFAOYSA-N
XLogP5.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol (CID 11247367) is 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol is Oc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3C2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol?
The InChIKey is MEFAURHMHWBYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c30-23-8-4-20(5-9-23)27-19-22-18-24(31)10-13-26(22)28(27)21-6-11-25(12-7-21)32-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17,19H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol?
2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol has a molecular weight of 427.54 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-inden-5-ol is sourced from PubChem (CID 11247367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).