(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol

C13H13FO2S — CID 81284648

IUPAC(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
SMILESCOc1cc(C(O)c2ccc(C)s2)ccc1F
InChIInChI=1S/C13H13FO2S/c1-8-3-6-12(17-8)13(15)9-4-5-10(14)11(7-9)16-2/h3-7,13,15H,1-2H3
InChIKeyPGQSJBOMWRJADI-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.29
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol

(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol (PubChem CID 81284648) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
PubChem CID81284648
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
SMILESCOc1cc(C(O)c2ccc(C)s2)ccc1F
InChIInChI=1S/C13H13FO2S/c1-8-3-6-12(17-8)13(15)9-4-5-10(14)11(7-9)16-2/h3-7,13,15H,1-2H3
InChIKeyPGQSJBOMWRJADI-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol (CID 81284648) is (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol is COc1cc(C(O)c2ccc(C)s2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is PGQSJBOMWRJADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-8-3-6-12(17-8)13(15)9-4-5-10(14)11(7-9)16-2/h3-7,13,15H,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 252.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 81284648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).