2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol

C15H23FO3 — CID 112592515

IUPAC2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol
SMILESCC(C)(C)OCCC(CO)(CO)c1cccc(F)c1
InChIInChI=1S/C15H23FO3/c1-14(2,3)19-8-7-15(10-17,11-18)12-5-4-6-13(16)9-12/h4-6,9,17-18H,7-8,10-11H2,1-3H3
InChIKeyICYYKXYKXFSGOI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.25
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol

2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol (PubChem CID 112592515) has the molecular formula C15H23FO3 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol
PubChem CID112592515
Molecular FormulaC15H23FO3
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol
SMILESCC(C)(C)OCCC(CO)(CO)c1cccc(F)c1
InChIInChI=1S/C15H23FO3/c1-14(2,3)19-8-7-15(10-17,11-18)12-5-4-6-13(16)9-12/h4-6,9,17-18H,7-8,10-11H2,1-3H3
InChIKeyICYYKXYKXFSGOI-UHFFFAOYSA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)-4-methoxybutyl]carbamate
CID 106507141
2-(3-fluorophenyl)-2-methoxypropan-1-ol
CID 105441079
2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
CID 106507132
tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate
CID 106507136
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
CID 79445073
methyl 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoate
CID 105483806
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79449892

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol?
The IUPAC name of 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol (CID 112592515) is 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol?
The canonical SMILES for 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol is CC(C)(C)OCCC(CO)(CO)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol?
The InChIKey is ICYYKXYKXFSGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO3/c1-14(2,3)19-8-7-15(10-17,11-18)12-5-4-6-13(16)9-12/h4-6,9,17-18H,7-8,10-11H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol?
2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol has a molecular weight of 270.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol is sourced from PubChem (CID 112592515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).