(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol

C13H13FO2S — CID 115794422

IUPAC(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(C)ccc2F)c1
InChIInChI=1S/C13H13FO2S/c1-8-3-4-11(14)10(5-8)13(15)12-6-9(16-2)7-17-12/h3-7,13,15H,1-2H3
InChIKeyCDQSVZQIWOQJTQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.29
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol

(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 115794422) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
PubChem CID115794422
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(C)ccc2F)c1
InChIInChI=1S/C13H13FO2S/c1-8-3-4-11(14)10(5-8)13(15)12-6-9(16-2)7-17-12/h3-7,13,15H,1-2H3
InChIKeyCDQSVZQIWOQJTQ-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

(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123580
(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(4-methoxythiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836341
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81119806
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123973
2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol (CID 115794422) is (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2cc(C)ccc2F)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is CDQSVZQIWOQJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-8-3-4-11(14)10(5-8)13(15)12-6-9(16-2)7-17-12/h3-7,13,15H,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-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 (2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 115794422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).