(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol

C13H13FO3S — CID 115828533

IUPAC(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cccc(OC)c2F)c1
InChIInChI=1S/C13H13FO3S/c1-16-8-6-11(18-7-8)13(15)9-4-3-5-10(17-2)12(9)14/h3-7,13,15H,1-2H3
InChIKeyCVOMLYWFWKAXBL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.99
Rot. Bonds4

About (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol

(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 115828533) has the molecular formula C13H13FO3S and a molecular weight of 268.31 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
PubChem CID115828533
Molecular FormulaC13H13FO3S
Molecular Weight268.31 g/mol
Exact Mass268.06
IUPAC Name(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cccc(OC)c2F)c1
InChIInChI=1S/C13H13FO3S/c1-16-8-6-11(18-7-8)13(15)9-4-3-5-10(17-2)12(9)14/h3-7,13,15H,1-2H3
InChIKeyCVOMLYWFWKAXBL-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol (CID 115828533) is (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2cccc(OC)c2F)c1.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is CVOMLYWFWKAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3S/c1-16-8-6-11(18-7-8)13(15)9-4-3-5-10(17-2)12(9)14/h3-7,13,15H,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 268.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 115828533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).