ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide

C24H37FO3 — CID 144914338

IUPACethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide
SMILESC=C(CCc1ccc(-c2ccc(CCC)cc2)c(F)c1)OC.CC.CC.OO
InChIInChI=1S/C20H23FO.2C2H6.H2O2/c1-4-5-16-8-11-18(12-9-16)19-13-10-17(14-20(19)21)7-6-15(2)22-3;3*1-2/h8-14H,2,4-7H2,1,3H3;2*1-2H3;1-2H
InChIKeyYUQHXISKJIMNQE-UHFFFAOYSA-N
MW392.56 g/mol
LogP7.61
Rot. Bonds7

About ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide

ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide (PubChem CID 144914338) has the molecular formula C24H37FO3 and a molecular weight of 392.56 g/mol. Its IUPAC name is ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide.

Molecular Properties

Compound Nameethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide
PubChem CID144914338
Molecular FormulaC24H37FO3
Molecular Weight392.56 g/mol
Exact Mass392.27
IUPAC Nameethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide
SMILESC=C(CCc1ccc(-c2ccc(CCC)cc2)c(F)c1)OC.CC.CC.OO
InChIInChI=1S/C20H23FO.2C2H6.H2O2/c1-4-5-16-8-11-18(12-9-16)19-13-10-17(14-20(19)21)7-6-15(2)22-3;3*1-2/h8-14H,2,4-7H2,1,3H3;2*1-2H3;1-2H
InChIKeyYUQHXISKJIMNQE-UHFFFAOYSA-N
XLogP7.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.56
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
methyl 4-[2-fluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331656
1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol
CID 134244927
4-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]-2-methylidenebutan-1-ol
CID 139457380
4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506
2-fluoro-4-iodo-1-(4-propylphenyl)benzene
CID 150911795
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
butane;(2S)-2-[4-[2-[3-fluoro-4-[4-[(2R)-1-hydroxypropan-2-yl]oxyphenyl]phenyl]ethyl]phenoxy]propan-1-ol
CID 90725118
[4-(2-fluoro-4-propylphenyl)phenyl] (4-pentylphenyl) carbonate
CID 70483025
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide?
The IUPAC name of ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide (CID 144914338) is ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide.
What is the SMILES notation for ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide?
The canonical SMILES for ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide is C=C(CCc1ccc(-c2ccc(CCC)cc2)c(F)c1)OC.CC.CC.OO.
What is the InChIKey of ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide?
The InChIKey is YUQHXISKJIMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO.2C2H6.H2O2/c1-4-5-16-8-11-18(12-9-16)19-13-10-17(14-20(19)21)7-6-15(2)22-3;3*1-2/h8-14H,2,4-7H2,1,3H3;2*1-2H3;1-2H.
What are the key properties of ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide?
ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide has a molecular weight of 392.56 g/mol, XLogP of 7.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide is sourced from PubChem (CID 144914338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).