2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane

C30H33FO3 — CID 69483108

IUPAC2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane
SMILESFc1ccc(OCc2ccccc2)c(CC=C(CCCOC2CCCCO2)c2ccccc2)c1
InChIInChI=1S/C30H33FO3/c31-28-18-19-29(34-23-24-10-3-1-4-11-24)27(22-28)17-16-26(25-12-5-2-6-13-25)14-9-21-33-30-15-7-8-20-32-30/h1-6,10-13,16,18-19,22,30H,7-9,14-15,17,20-21,23H2
InChIKeyYWLYLJRMPHHOPQ-UHFFFAOYSA-N
MW460.59 g/mol
LogP7.35
Rot. Bonds11

About 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane

2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane (PubChem CID 69483108) has the molecular formula C30H33FO3 and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane.

Molecular Properties

Compound Name2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane
PubChem CID69483108
Molecular FormulaC30H33FO3
Molecular Weight460.59 g/mol
Exact Mass460.24
IUPAC Name2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane
SMILESFc1ccc(OCc2ccccc2)c(CC=C(CCCOC2CCCCO2)c2ccccc2)c1
InChIInChI=1S/C30H33FO3/c31-28-18-19-29(34-23-24-10-3-1-4-11-24)27(22-28)17-16-26(25-12-5-2-6-13-25)14-9-21-33-30-15-7-8-20-32-30/h1-6,10-13,16,18-19,22,30H,7-9,14-15,17,20-21,23H2
InChIKeyYWLYLJRMPHHOPQ-UHFFFAOYSA-N
XLogP7.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one
CID 59303190
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
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-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
(2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
CID 124565486
2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
CID 23147268

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane?
The IUPAC name of 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane (CID 69483108) is 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane.
What is the SMILES notation for 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane?
The canonical SMILES for 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane is Fc1ccc(OCc2ccccc2)c(CC=C(CCCOC2CCCCO2)c2ccccc2)c1.
What is the InChIKey of 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane?
The InChIKey is YWLYLJRMPHHOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FO3/c31-28-18-19-29(34-23-24-10-3-1-4-11-24)27(22-28)17-16-26(25-12-5-2-6-13-25)14-9-21-33-30-15-7-8-20-32-30/h1-6,10-13,16,18-19,22,30H,7-9,14-15,17,20-21,23H2.
What are the key properties of 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane?
2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane has a molecular weight of 460.59 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane is sourced from PubChem (CID 69483108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).