2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol

C24H25FO4S — CID 145103780

About 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol

2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 145103780) has the molecular formula C24H25FO4S and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

• Compound Name: 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
• PubChem CID: 145103780
• Molecular Formula: C24H25FO4S
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.15
• IUPAC Name: 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
• SMILES: Cc1ccc(C2CC(O)CC(CO)O2)cc1C(O)c1ccc(-c2ccc(F)cc2)s1
• InChI: InChI=1S/C24H25FO4S/c1-14-2-3-16(21-12-18(27)11-19(13-26)29-21)10-20(14)24(28)23-9-8-22(30-23)15-4-6-17(25)7-5-15/h2-10,18-19,21,24,26-28H,11-13H2,1H3
• InChIKey: MQFJVHIQRRTWHO-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 69.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?

The IUPAC name of 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol (CID 145103780) is 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol.

What is the SMILES notation for 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?

The canonical SMILES for 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol is Cc1ccc(C2CC(O)CC(CO)O2)cc1C(O)c1ccc(-c2ccc(F)cc2)s1.

What is the InChIKey of 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?

The InChIKey is MQFJVHIQRRTWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO4S/c1-14-2-3-16(21-12-18(27)11-19(13-26)29-21)10-20(14)24(28)23-9-8-22(30-23)15-4-6-17(25)7-5-15/h2-10,18-19,21,24,26-28H,11-13H2,1H3.

What are the key properties of 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?

2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 428.53 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 145103780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).