2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane

C23H30O4 — CID 54240973

IUPAC2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
SMILESCOC(C)(CCOC1CCCCO1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H30O4/c1-23(24-2,14-16-26-22-13-6-7-15-25-22)20-11-8-12-21(17-20)27-18-19-9-4-3-5-10-19/h3-5,8-12,17,22H,6-7,13-16,18H2,1-2H3
InChIKeyFHQCEHQSYBCUIE-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.06
Rot. Bonds9

About 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane

2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane (PubChem CID 54240973) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane.

Molecular Properties

Compound Name2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
PubChem CID54240973
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
SMILESCOC(C)(CCOC1CCCCO1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H30O4/c1-23(24-2,14-16-26-22-13-6-7-15-25-22)20-11-8-12-21(17-20)27-18-19-9-4-3-5-10-19/h3-5,8-12,17,22H,6-7,13-16,18H2,1-2H3
InChIKeyFHQCEHQSYBCUIE-UHFFFAOYSA-N
XLogP5.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]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-[3,4-dimethoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 19761549
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
CID 23147268
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane?
The IUPAC name of 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane (CID 54240973) is 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane.
What is the SMILES notation for 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane?
The canonical SMILES for 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane is COC(C)(CCOC1CCCCO1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane?
The InChIKey is FHQCEHQSYBCUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-23(24-2,14-16-26-22-13-6-7-15-25-22)20-11-8-12-21(17-20)27-18-19-9-4-3-5-10-19/h3-5,8-12,17,22H,6-7,13-16,18H2,1-2H3.
What are the key properties of 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane?
2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane has a molecular weight of 370.49 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane is sourced from PubChem (CID 54240973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).