2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol

C30H33NO4 — CID 162673671

IUPAC2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)cc(C(c3ccc(OC)cc3)N3CCOCC3)c2O)c1
InChIInChI=1S/C30H33NO4/c1-4-6-21-8-13-28(32)25(18-21)26-19-22(7-5-2)20-27(30(26)33)29(31-14-16-35-17-15-31)23-9-11-24(34-3)12-10-23/h4-5,8-13,18-20,29,32-33H,1-2,6-7,14-17H2,3H3
InChIKeyLDLXFGDGEQFUBG-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.65
Rot. Bonds9

About 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol

2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol (PubChem CID 162673671) has the molecular formula C30H33NO4 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol
PubChem CID162673671
Molecular FormulaC30H33NO4
Molecular Weight471.60 g/mol
Exact Mass471.24
IUPAC Name2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)cc(C(c3ccc(OC)cc3)N3CCOCC3)c2O)c1
InChIInChI=1S/C30H33NO4/c1-4-6-21-8-13-28(32)25(18-21)26-19-22(7-5-2)20-27(30(26)33)29(31-14-16-35-17-15-31)23-9-11-24(34-3)12-10-23/h4-5,8-13,18-20,29,32-33H,1-2,6-7,14-17H2,3H3
InChIKeyLDLXFGDGEQFUBG-UHFFFAOYSA-N
XLogP5.65
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol?
The IUPAC name of 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol (CID 162673671) is 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol.
What is the SMILES notation for 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol?
The canonical SMILES for 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(CC=C)cc(C(c3ccc(OC)cc3)N3CCOCC3)c2O)c1.
What is the InChIKey of 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol?
The InChIKey is LDLXFGDGEQFUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO4/c1-4-6-21-8-13-28(32)25(18-21)26-19-22(7-5-2)20-27(30(26)33)29(31-14-16-35-17-15-31)23-9-11-24(34-3)12-10-23/h4-5,8-13,18-20,29,32-33H,1-2,6-7,14-17H2,3H3.
What are the key properties of 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol?
2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol has a molecular weight of 471.60 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol is sourced from PubChem (CID 162673671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).