2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane

C27H25FO — CID 101495994

IUPAC2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane
SMILESFc1ccc(C2(CC=C=C(c3ccccc3)c3ccccc3)CCCCO2)cc1
InChIInChI=1S/C27H25FO/c28-25-17-15-24(16-18-25)27(19-7-8-21-29-27)20-9-14-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,9-13,15-18H,7-8,19-21H2
InChIKeyVQXTYKLYXNOUSP-UHFFFAOYSA-N
MW384.49 g/mol
LogP6.90
Rot. Bonds5

About 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane

2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane (PubChem CID 101495994) has the molecular formula C27H25FO and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane.

Molecular Properties

Compound Name2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane
PubChem CID101495994
Molecular FormulaC27H25FO
Molecular Weight384.49 g/mol
Exact Mass384.19
IUPAC Name2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane
SMILESFc1ccc(C2(CC=C=C(c3ccccc3)c3ccccc3)CCCCO2)cc1
InChIInChI=1S/C27H25FO/c28-25-17-15-24(16-18-25)27(19-7-8-21-29-27)20-9-14-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,9-13,15-18H,7-8,19-21H2
InChIKeyVQXTYKLYXNOUSP-UHFFFAOYSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane 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

2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
2,4,6-Triphenyl-1,3-dioxane
CID 568919
Bis(diphenylmethyl) ether
CID 11323
(S)-Glycidyl Trityl Ether
CID 7168113
Bis[bis(2-methylphenyl)methyl] ether
CID 4248814
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
2,3-Diphenyl-1,4-dioxane
CID 271103
(R)-Glycidyl Trityl Ether
CID 2734442
4-(Methoxy-phenyl-methyl)-biphenyl
CID 4408101
Diphenylmethyl propyl ether
CID 4651659

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane?
The IUPAC name of 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane (CID 101495994) is 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane.
What is the SMILES notation for 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane?
The canonical SMILES for 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane is Fc1ccc(C2(CC=C=C(c3ccccc3)c3ccccc3)CCCCO2)cc1.
What is the InChIKey of 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane?
The InChIKey is VQXTYKLYXNOUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FO/c28-25-17-15-24(16-18-25)27(19-7-8-21-29-27)20-9-14-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,9-13,15-18H,7-8,19-21H2.
What are the key properties of 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane?
2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane has a molecular weight of 384.49 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane is sourced from PubChem (CID 101495994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).