(3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol

C13H13FO2S — CID 121226419

IUPAC(3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol
SMILESCOc1c(C)sc(C(O)c2ccccc2)c1F
InChIInChI=1S/C13H13FO2S/c1-8-12(16-2)10(14)13(17-8)11(15)9-6-4-3-5-7-9/h3-7,11,15H,1-2H3
InChIKeyZKFKBQKFOBFKAF-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.29
Rot. Bonds3

About (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol

(3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol (PubChem CID 121226419) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol
PubChem CID121226419
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name(3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol
SMILESCOc1c(C)sc(C(O)c2ccccc2)c1F
InChIInChI=1S/C13H13FO2S/c1-8-12(16-2)10(14)13(17-8)11(15)9-6-4-3-5-7-9/h3-7,11,15H,1-2H3
InChIKeyZKFKBQKFOBFKAF-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 (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol?
The IUPAC name of (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol (CID 121226419) is (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol.
What is the SMILES notation for (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol?
The canonical SMILES for (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol is COc1c(C)sc(C(O)c2ccccc2)c1F.
What is the InChIKey of (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol?
The InChIKey is ZKFKBQKFOBFKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-8-12(16-2)10(14)13(17-8)11(15)9-6-4-3-5-7-9/h3-7,11,15H,1-2H3.
What are the key properties of (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol?
(3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol 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 (3-fluoro-4-methoxy-5-methylthiophen-2-yl)-phenylmethanol is sourced from PubChem (CID 121226419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).