2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol

C17H19FO2 — CID 145126379

IUPAC2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
SMILESOCC(CO)CCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H19FO2/c18-17-4-2-1-3-16(17)15-9-7-13(8-10-15)5-6-14(11-19)12-20/h1-4,7-10,14,19-20H,5-6,11-12H2
InChIKeyVODNOPDURKPMAN-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.03
Rot. Bonds6

About 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol

2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol (PubChem CID 145126379) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
PubChem CID145126379
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
SMILESOCC(CO)CCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H19FO2/c18-17-4-2-1-3-16(17)15-9-7-13(8-10-15)5-6-14(11-19)12-20/h1-4,7-10,14,19-20H,5-6,11-12H2
InChIKeyVODNOPDURKPMAN-UHFFFAOYSA-N
XLogP3.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol (CID 145126379) is 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol is OCC(CO)CCc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol?
The InChIKey is VODNOPDURKPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c18-17-4-2-1-3-16(17)15-9-7-13(8-10-15)5-6-14(11-19)12-20/h1-4,7-10,14,19-20H,5-6,11-12H2.
What are the key properties of 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol?
2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol has a molecular weight of 274.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 145126379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).