2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane

C33H38O5 — CID 151298833

IUPAC2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane
SMILESCCC(=C(c1ccc(OCCCC2OCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1
InChIInChI=1S/C33H38O5/c1-2-30(25-9-4-3-5-10-25)33(27-15-19-29(20-16-27)38-32-11-6-7-21-35-32)26-13-17-28(18-14-26)34-22-8-12-31-36-23-24-37-31/h3-5,9-10,13-20,31-32H,2,6-8,11-12,21-24H2,1H3
InChIKeyOBZLKSHBNYZFSX-UHFFFAOYSA-N
MW514.66 g/mol
LogP7.49
Rot. Bonds11

About 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane

2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane (PubChem CID 151298833) has the molecular formula C33H38O5 and a molecular weight of 514.66 g/mol. Its IUPAC name is 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane.

Molecular Properties

Compound Name2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane
PubChem CID151298833
Molecular FormulaC33H38O5
Molecular Weight514.66 g/mol
Exact Mass514.27
IUPAC Name2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane
SMILESCCC(=C(c1ccc(OCCCC2OCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1
InChIInChI=1S/C33H38O5/c1-2-30(25-9-4-3-5-10-25)33(27-15-19-29(20-16-27)38-32-11-6-7-21-35-32)26-13-17-28(18-14-26)34-22-8-12-31-36-23-24-37-31/h3-5,9-10,13-20,31-32H,2,6-8,11-12,21-24H2,1H3
InChIKeyOBZLKSHBNYZFSX-UHFFFAOYSA-N
XLogP7.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.66
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]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-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
2-[4-[(E)-2-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 15094498
2-[4-[(Z)-2-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 15094499
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
2-[4-[(Z)-1-(4-nitrophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-en-2-yl]phenoxy]oxane
CID 11526597
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
CID 70836225
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane?
The IUPAC name of 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane (CID 151298833) is 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane.
What is the SMILES notation for 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane?
The canonical SMILES for 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane is CCC(=C(c1ccc(OCCCC2OCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane?
The InChIKey is OBZLKSHBNYZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38O5/c1-2-30(25-9-4-3-5-10-25)33(27-15-19-29(20-16-27)38-32-11-6-7-21-35-32)26-13-17-28(18-14-26)34-22-8-12-31-36-23-24-37-31/h3-5,9-10,13-20,31-32H,2,6-8,11-12,21-24H2,1H3.
What are the key properties of 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane?
2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane has a molecular weight of 514.66 g/mol, XLogP of 7.49, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane is sourced from PubChem (CID 151298833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).