(3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one

C24H28O2 — CID 50900992

IUPAC(3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one
SMILESCCCC/C(=C1/OC(=O)[C@]1(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O2/c1-3-5-17-21(19-13-9-7-10-14-19)22-24(18-6-4-2,23(25)26-22)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3/b22-21-/t24-/m1/s1
InChIKeyYTYWLUOYFISIRZ-GFXIQCROSA-N
MW348.49 g/mol
LogP6.27
Rot. Bonds8

About (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one

(3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one (PubChem CID 50900992) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one.

Molecular Properties

Compound Name(3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one
PubChem CID50900992
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name(3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one
SMILESCCCC/C(=C1/OC(=O)[C@]1(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O2/c1-3-5-17-21(19-13-9-7-10-14-19)22-24(18-6-4-2,23(25)26-22)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3/b22-21-/t24-/m1/s1
InChIKeyYTYWLUOYFISIRZ-GFXIQCROSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
(3Z)-4-ethyl-3-(1-phenylpentylidene)oxetan-2-one
CID 71530732
(3E)-4-ethyl-3-(1-phenylheptylidene)oxetan-2-one
CID 71530857
[(E)-hept-2-en-3-yl]benzene
CID 14568345
ethane;1-phenylpentan-1-one
CID 143728184
2-(1-phenylnonylidene)cyclopentan-1-one
CID 71428415
1-phenylheptadecan-1-one
CID 577626
(2Z)-2-(1-phenylethylidene)heptadecanal
CID 142767247
1,1-diphenylhept-1-en-3-one
CID 69091035
benzoic acid;octan-2-one
CID 174815510
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
5-[1-(4-chlorophenyl)pentylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 86234246

Frequently Asked Questions

What is the IUPAC name of (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one?
The IUPAC name of (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one (CID 50900992) is (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one.
What is the SMILES notation for (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one?
The canonical SMILES for (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one is CCCC/C(=C1/OC(=O)[C@]1(CCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one?
The InChIKey is YTYWLUOYFISIRZ-GFXIQCROSA-N. The full InChI is InChI=1S/C24H28O2/c1-3-5-17-21(19-13-9-7-10-14-19)22-24(18-6-4-2,23(25)26-22)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3/b22-21-/t24-/m1/s1.
What are the key properties of (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one?
(3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one has a molecular weight of 348.49 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4Z)-3-butyl-3-phenyl-4-(1-phenylpentylidene)oxetan-2-one is sourced from PubChem (CID 50900992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).