2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane

C31H28O2 — CID 11247479

IUPAC2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(OC3CCCCO3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H28O2/c1-4-12-24(13-5-1)30(25-14-6-2-7-15-25)31(26-16-8-3-9-17-26)27-19-21-28(22-20-27)33-29-18-10-11-23-32-29/h1-9,12-17,19-22,29H,10-11,18,23H2
InChIKeyHJZYLVDLQCYWLK-UHFFFAOYSA-N
MW432.56 g/mol
LogP7.60
Rot. Bonds6

About 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane

2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane (PubChem CID 11247479) has the molecular formula C31H28O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane.

Molecular Properties

Compound Name2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
PubChem CID11247479
Molecular FormulaC31H28O2
Molecular Weight432.56 g/mol
Exact Mass432.21
IUPAC Name2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(OC3CCCCO3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H28O2/c1-4-12-24(13-5-1)30(25-14-6-2-7-15-25)31(26-16-8-3-9-17-26)27-19-21-28(22-20-27)33-29-18-10-11-23-32-29/h1-9,12-17,19-22,29H,10-11,18,23H2
InChIKeyHJZYLVDLQCYWLK-UHFFFAOYSA-N
XLogP7.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-phenoxyoxolane
CID 11030163
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
4-(oxan-2-yloxy)phenol
CID 11745519
[4-(oxan-2-yloxy)phenyl]-diphenylsilane
CID 174039568
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
CID 168763543
CID 168763543
2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane
CID 151298833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane?
The IUPAC name of 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane (CID 11247479) is 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane.
What is the SMILES notation for 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane?
The canonical SMILES for 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane is c1ccc(C(=C(c2ccccc2)c2ccc(OC3CCCCO3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane?
The InChIKey is HJZYLVDLQCYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O2/c1-4-12-24(13-5-1)30(25-14-6-2-7-15-25)31(26-16-8-3-9-17-26)27-19-21-28(22-20-27)33-29-18-10-11-23-32-29/h1-9,12-17,19-22,29H,10-11,18,23H2.
What are the key properties of 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane?
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane has a molecular weight of 432.56 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane is sourced from PubChem (CID 11247479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).