4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol

C34H43NO5 — CID 6476811

IUPAC4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol
SMILESC=CC(C)(/C=C\c1ccc(O)cc1)c1ccc(O)cc1.C[C@@H]1C[C@@H]([C@H](C)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1
InChIInChI=1S/C18H18O2.C16H25NO3/c1-3-18(2,15-6-10-17(20)11-7-15)13-12-14-4-8-16(19)9-5-14;1-9-4-11(3)16(20)13(5-9)10(2)6-12-7-14(18)17-15(19)8-12/h3-13,19-20H,1H2,2H3;9-13H,4-8H2,1-3H3,(H,17,18,19)/b13-12-;/t;9-,10+,11-,13-/m.0/s1
InChIKeyLPRCFZYHEFMPDE-NJDCYDHASA-N
MW545.72 g/mol
LogP6.57
Rot. Bonds7

About 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol

4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol (PubChem CID 6476811) has the molecular formula C34H43NO5 and a molecular weight of 545.72 g/mol. Its IUPAC name is 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol
PubChem CID6476811
Molecular FormulaC34H43NO5
Molecular Weight545.72 g/mol
Exact Mass545.31
IUPAC Name4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol
SMILESC=CC(C)(/C=C\c1ccc(O)cc1)c1ccc(O)cc1.C[C@@H]1C[C@@H]([C@H](C)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1
InChIInChI=1S/C18H18O2.C16H25NO3/c1-3-18(2,15-6-10-17(20)11-7-15)13-12-14-4-8-16(19)9-5-14;1-9-4-11(3)16(20)13(5-9)10(2)6-12-7-14(18)17-15(19)8-12/h3-13,19-20H,1H2,2H3;9-13H,4-8H2,1-3H3,(H,17,18,19)/b13-12-;/t;9-,10+,11-,13-/m.0/s1
InChIKeyLPRCFZYHEFMPDE-NJDCYDHASA-N
XLogP6.57
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.72
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol?
The IUPAC name of 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol (CID 6476811) is 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol.
What is the SMILES notation for 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol?
The canonical SMILES for 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol is C=CC(C)(/C=C\c1ccc(O)cc1)c1ccc(O)cc1.C[C@@H]1C[C@@H]([C@H](C)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1.
What is the InChIKey of 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol?
The InChIKey is LPRCFZYHEFMPDE-NJDCYDHASA-N. The full InChI is InChI=1S/C18H18O2.C16H25NO3/c1-3-18(2,15-6-10-17(20)11-7-15)13-12-14-4-8-16(19)9-5-14;1-9-4-11(3)16(20)13(5-9)10(2)6-12-7-14(18)17-15(19)8-12/h3-13,19-20H,1H2,2H3;9-13H,4-8H2,1-3H3,(H,17,18,19)/b13-12-;/t;9-,10+,11-,13-/m.0/s1.
What are the key properties of 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol?
4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol has a molecular weight of 545.72 g/mol, XLogP of 6.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]propyl]piperidine-2,6-dione;4-[(1Z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dienyl]phenol is sourced from PubChem (CID 6476811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).