5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol

C31H31NO3 — CID 11454084

IUPAC5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol
SMILESOc1ccc(/C(=C\c2cccc3cc(O)ccc23)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H31NO3/c33-27-11-7-23(8-12-27)31(22-26-6-4-5-25-21-28(34)13-16-30(25)26)24-9-14-29(15-10-24)35-20-19-32-17-2-1-3-18-32/h4-16,21-22,33-34H,1-3,17-20H2/b31-22+
InChIKeyKHMZXQUNINYENE-DFKUXCBWSA-N
MW465.59 g/mol
LogP6.70
Rot. Bonds7

About 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol

5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol (PubChem CID 11454084) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol.

Molecular Properties

Compound Name5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol
PubChem CID11454084
Molecular FormulaC31H31NO3
Molecular Weight465.59 g/mol
Exact Mass465.23
IUPAC Name5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol
SMILESOc1ccc(/C(=C\c2cccc3cc(O)ccc23)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H31NO3/c33-27-11-7-23(8-12-27)31(22-26-6-4-5-25-21-28(34)13-16-30(25)26)24-9-14-29(15-10-24)35-20-19-32-17-2-1-3-18-32/h4-16,21-22,33-34H,1-3,17-20H2/b31-22+
InChIKeyKHMZXQUNINYENE-DFKUXCBWSA-N
XLogP6.70
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.70
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 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol?
The IUPAC name of 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol (CID 11454084) is 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol.
What is the SMILES notation for 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol?
The canonical SMILES for 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol is Oc1ccc(/C(=C\c2cccc3cc(O)ccc23)c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol?
The InChIKey is KHMZXQUNINYENE-DFKUXCBWSA-N. The full InChI is InChI=1S/C31H31NO3/c33-27-11-7-23(8-12-27)31(22-26-6-4-5-25-21-28(34)13-16-30(25)26)24-9-14-29(15-10-24)35-20-19-32-17-2-1-3-18-32/h4-16,21-22,33-34H,1-3,17-20H2/b31-22+.
What are the key properties of 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol?
5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol has a molecular weight of 465.59 g/mol, XLogP of 6.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol is sourced from PubChem (CID 11454084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).