4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol

C33H39NO2 — CID 11443047

IUPAC4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol
SMILESCC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)CC(C)(C)C1
InChIInChI=1S/C33H39NO2/c1-32(2)21-28(22-33(3,4)23-32)31(27-11-15-30(35)16-12-27)26-7-5-24(6-8-26)25-9-13-29(14-10-25)34-17-19-36-20-18-34/h5-16,35H,17-23H2,1-4H3
InChIKeyPANUZDDPOYASPL-UHFFFAOYSA-N
MW481.68 g/mol
LogP7.93
Rot. Bonds4

About 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol

4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol (PubChem CID 11443047) has the molecular formula C33H39NO2 and a molecular weight of 481.68 g/mol. Its IUPAC name is 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol.

Molecular Properties

Compound Name4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol
PubChem CID11443047
Molecular FormulaC33H39NO2
Molecular Weight481.68 g/mol
Exact Mass481.30
IUPAC Name4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol
SMILESCC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)CC(C)(C)C1
InChIInChI=1S/C33H39NO2/c1-32(2)21-28(22-33(3,4)23-32)31(27-11-15-30(35)16-12-27)26-7-5-24(6-8-26)25-9-13-29(14-10-25)34-17-19-36-20-18-34/h5-16,35H,17-23H2,1-4H3
InChIKeyPANUZDDPOYASPL-UHFFFAOYSA-N
XLogP7.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol?
The IUPAC name of 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol (CID 11443047) is 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol.
What is the SMILES notation for 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol?
The canonical SMILES for 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol is CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)CC(C)(C)C1.
What is the InChIKey of 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol?
The InChIKey is PANUZDDPOYASPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39NO2/c1-32(2)21-28(22-33(3,4)23-32)31(27-11-15-30(35)16-12-27)26-7-5-24(6-8-26)25-9-13-29(14-10-25)34-17-19-36-20-18-34/h5-16,35H,17-23H2,1-4H3.
What are the key properties of 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol?
4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol has a molecular weight of 481.68 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-morpholin-4-ylphenyl)phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol is sourced from PubChem (CID 11443047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).