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

C13H13FO2S — CID 65099686

IUPAC(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2csc(C)c2)cc1F
InChIInChI=1S/C13H13FO2S/c1-8-5-10(7-17-8)13(15)9-3-4-12(16-2)11(14)6-9/h3-7,13,15H,1-2H3
InChIKeyAUBXQVBKGNUEHP-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.29
Rot. Bonds3

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

(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 65099686) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID65099686
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2csc(C)c2)cc1F
InChIInChI=1S/C13H13FO2S/c1-8-5-10(7-17-8)13(15)9-3-4-12(16-2)11(14)6-9/h3-7,13,15H,1-2H3
InChIKeyAUBXQVBKGNUEHP-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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Related Compounds

(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 113472302
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 80530151
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927912
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol (CID 65099686) is (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol is COc1ccc(C(O)c2csc(C)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is AUBXQVBKGNUEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-8-5-10(7-17-8)13(15)9-3-4-12(16-2)11(14)6-9/h3-7,13,15H,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-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 (3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 65099686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).