2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol

C16H23FO3 — CID 116525302

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESCC1(C)CCC(CC(CO)(CO)c2ccccc2F)O1
InChIInChI=1S/C16H23FO3/c1-15(2)8-7-12(20-15)9-16(10-18,11-19)13-5-3-4-6-14(13)17/h3-6,12,18-19H,7-11H2,1-2H3
InChIKeyZJPVGGIEBYUKOR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (PubChem CID 116525302) has the molecular formula C16H23FO3 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
PubChem CID116525302
Molecular FormulaC16H23FO3
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESCC1(C)CCC(CC(CO)(CO)c2ccccc2F)O1
InChIInChI=1S/C16H23FO3/c1-15(2)8-7-12(20-15)9-16(10-18,11-19)13-5-3-4-6-14(13)17/h3-6,12,18-19H,7-11H2,1-2H3
InChIKeyZJPVGGIEBYUKOR-UHFFFAOYSA-N
XLogP2.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]propane-1,3-diol
CID 116525300
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
CID 116525293
5-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525349
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
2-cyclopropyl-3-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 116525154
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane
CID 116525249
5-[3-bromo-2-(bromomethyl)-2-(4-methylphenyl)propyl]-2,2-dimethyloxolane
CID 116525338
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
CID 116525290
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-fluoroaniline
CID 107599198
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
CID 79447347
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
CID 116523197

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (CID 116525302) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is CC1(C)CCC(CC(CO)(CO)c2ccccc2F)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The InChIKey is ZJPVGGIEBYUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3/c1-15(2)8-7-12(20-15)9-16(10-18,11-19)13-5-3-4-6-14(13)17/h3-6,12,18-19H,7-11H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol has a molecular weight of 282.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 116525302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).