4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol

C21H19FO3 — CID 19764850

IUPAC4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol
SMILESOC1(c2cc(F)cc(Oc3ccc4ccccc4c3)c2)CCOCC1
InChIInChI=1S/C21H19FO3/c22-18-12-17(21(23)7-9-24-10-8-21)13-20(14-18)25-19-6-5-15-3-1-2-4-16(15)11-19/h1-6,11-14,23H,7-10H2
InChIKeySKFDRPIXOBHGQQ-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.77
Rot. Bonds3

About 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol

4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol (PubChem CID 19764850) has the molecular formula C21H19FO3 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol
PubChem CID19764850
Molecular FormulaC21H19FO3
Molecular Weight338.38 g/mol
Exact Mass338.13
IUPAC Name4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol
SMILESOC1(c2cc(F)cc(Oc3ccc4ccccc4c3)c2)CCOCC1
InChIInChI=1S/C21H19FO3/c22-18-12-17(21(23)7-9-24-10-8-21)13-20(14-18)25-19-6-5-15-3-1-2-4-16(15)11-19/h1-6,11-14,23H,7-10H2
InChIKeySKFDRPIXOBHGQQ-UHFFFAOYSA-N
XLogP4.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-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 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol?
The IUPAC name of 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol (CID 19764850) is 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol.
What is the SMILES notation for 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol?
The canonical SMILES for 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol is OC1(c2cc(F)cc(Oc3ccc4ccccc4c3)c2)CCOCC1.
What is the InChIKey of 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol?
The InChIKey is SKFDRPIXOBHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO3/c22-18-12-17(21(23)7-9-24-10-8-21)13-20(14-18)25-19-6-5-15-3-1-2-4-16(15)11-19/h1-6,11-14,23H,7-10H2.
What are the key properties of 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol?
4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol has a molecular weight of 338.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-naphthalen-2-yloxyphenyl)oxan-4-ol is sourced from PubChem (CID 19764850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).