2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol

C14H19FO3 — CID 79450596

IUPAC2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(CC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H19FO3/c15-12-4-1-3-11(7-12)14(9-16,10-17)8-13-5-2-6-18-13/h1,3-4,7,13,16-17H,2,5-6,8-10H2
InChIKeyAJQLREZHGBAJPJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

About 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol

2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol (PubChem CID 79450596) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
PubChem CID79450596
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(CC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H19FO3/c15-12-4-1-3-11(7-12)14(9-16,10-17)8-13-5-2-6-18-13/h1,3-4,7,13,16-17H,2,5-6,8-10H2
InChIKeyAJQLREZHGBAJPJ-UHFFFAOYSA-N
XLogP1.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol 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-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 114872852
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
bis((3-fluorophenyl)methanol);(2S)-2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 142540594
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
CID 62724879
2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol
CID 79450140
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
1-(3-fluorophenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495104
bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46015956
2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine
CID 62622554
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol (CID 79450596) is 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol is OCC(CO)(CC1CCCO1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol?
The InChIKey is AJQLREZHGBAJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c15-12-4-1-3-11(7-12)14(9-16,10-17)8-13-5-2-6-18-13/h1,3-4,7,13,16-17H,2,5-6,8-10H2.
What are the key properties of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol?
2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 79450596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).