1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone

C20H21FO3S — CID 18996164

IUPAC1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone
SMILESCOC1(c2cc(F)cc(Sc3ccc(C(C)=O)cc3)c2)CCOC1C
InChIInChI=1S/C20H21FO3S/c1-13(22)15-4-6-18(7-5-15)25-19-11-16(10-17(21)12-19)20(23-3)8-9-24-14(20)2/h4-7,10-12,14H,8-9H2,1-3H3
InChIKeyHHWFSZRZTNANKX-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.83
Rot. Bonds5

About 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone

1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone (PubChem CID 18996164) has the molecular formula C20H21FO3S and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone
PubChem CID18996164
Molecular FormulaC20H21FO3S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone
SMILESCOC1(c2cc(F)cc(Sc3ccc(C(C)=O)cc3)c2)CCOC1C
InChIInChI=1S/C20H21FO3S/c1-13(22)15-4-6-18(7-5-15)25-19-11-16(10-17(21)12-19)20(23-3)8-9-24-14(20)2/h4-7,10-12,14H,8-9H2,1-3H3
InChIKeyHHWFSZRZTNANKX-UHFFFAOYSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone 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 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone?
The IUPAC name of 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone (CID 18996164) is 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone?
The canonical SMILES for 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone is COC1(c2cc(F)cc(Sc3ccc(C(C)=O)cc3)c2)CCOC1C.
What is the InChIKey of 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone?
The InChIKey is HHWFSZRZTNANKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3S/c1-13(22)15-4-6-18(7-5-15)25-19-11-16(10-17(21)12-19)20(23-3)8-9-24-14(20)2/h4-7,10-12,14H,8-9H2,1-3H3.
What are the key properties of 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone?
1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone has a molecular weight of 360.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-(3-methoxy-2-methyloxolan-3-yl)phenyl]sulfanylphenyl]ethanone is sourced from PubChem (CID 18996164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).