2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol

C19H23FO4S — CID 142940062

IUPAC2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCOc1cc(F)c(Cc2ccc(C)s2)cc1C1CC(O)CC(CO)O1
InChIInChI=1S/C19H23FO4S/c1-11-3-4-15(25-11)5-12-6-16(18(23-2)9-17(12)20)19-8-13(22)7-14(10-21)24-19/h3-4,6,9,13-14,19,21-22H,5,7-8,10H2,1-2H3
InChIKeyDKKBPHPXHJEYKU-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol

2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 142940062) has the molecular formula C19H23FO4S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
PubChem CID142940062
Molecular FormulaC19H23FO4S
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCOc1cc(F)c(Cc2ccc(C)s2)cc1C1CC(O)CC(CO)O1
InChIInChI=1S/C19H23FO4S/c1-11-3-4-15(25-11)5-12-6-16(18(23-2)9-17(12)20)19-8-13(22)7-14(10-21)24-19/h3-4,6,9,13-14,19,21-22H,5,7-8,10H2,1-2H3
InChIKeyDKKBPHPXHJEYKU-UHFFFAOYSA-N
XLogP3.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol (CID 142940062) is 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol is COc1cc(F)c(Cc2ccc(C)s2)cc1C1CC(O)CC(CO)O1.
What is the InChIKey of 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is DKKBPHPXHJEYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO4S/c1-11-3-4-15(25-11)5-12-6-16(18(23-2)9-17(12)20)19-8-13(22)7-14(10-21)24-19/h3-4,6,9,13-14,19,21-22H,5,7-8,10H2,1-2H3.
What are the key properties of 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol?
2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 366.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 142940062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).