2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol

C16H19FO2 — CID 68833509

IUPAC2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol
SMILESCCCC(CO)c1cc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C16H19FO2/c1-3-4-13(10-18)15-9-16(19-11(15)2)12-5-7-14(17)8-6-12/h5-9,13,18H,3-4,10H2,1-2H3
InChIKeyREUIUCBJIQQOMG-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.27
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol

2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol (PubChem CID 68833509) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol
PubChem CID68833509
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol
SMILESCCCC(CO)c1cc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C16H19FO2/c1-3-4-13(10-18)15-9-16(19-11(15)2)12-5-7-14(17)8-6-12/h5-9,13,18H,3-4,10H2,1-2H3
InChIKeyREUIUCBJIQQOMG-UHFFFAOYSA-N
XLogP4.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol (CID 68833509) is 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol is CCCC(CO)c1cc(-c2ccc(F)cc2)oc1C.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol?
The InChIKey is REUIUCBJIQQOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-3-4-13(10-18)15-9-16(19-11(15)2)12-5-7-14(17)8-6-12/h5-9,13,18H,3-4,10H2,1-2H3.
What are the key properties of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol?
2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol has a molecular weight of 262.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]pentan-1-ol is sourced from PubChem (CID 68833509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).