(4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone

C19H17FO3S — CID 66585085

IUPAC(4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone
SMILESCOc1cccc(C2CC=C(C(=O)c3ccc(F)c(OC)c3)S2)c1
InChIInChI=1S/C19H17FO3S/c1-22-14-5-3-4-12(10-14)17-8-9-18(24-17)19(21)13-6-7-15(20)16(11-13)23-2/h3-7,9-11,17H,8H2,1-2H3
InChIKeyIOBMTOMLVAERMC-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.79
Rot. Bonds5

About (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone

(4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone (PubChem CID 66585085) has the molecular formula C19H17FO3S and a molecular weight of 344.41 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone
PubChem CID66585085
Molecular FormulaC19H17FO3S
Molecular Weight344.41 g/mol
Exact Mass344.09
IUPAC Name(4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone
SMILESCOc1cccc(C2CC=C(C(=O)c3ccc(F)c(OC)c3)S2)c1
InChIInChI=1S/C19H17FO3S/c1-22-14-5-3-4-12(10-14)17-8-9-18(24-17)19(21)13-6-7-15(20)16(11-13)23-2/h3-7,9-11,17H,8H2,1-2H3
InChIKeyIOBMTOMLVAERMC-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone (CID 66585085) is (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone is COc1cccc(C2CC=C(C(=O)c3ccc(F)c(OC)c3)S2)c1.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone?
The InChIKey is IOBMTOMLVAERMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3S/c1-22-14-5-3-4-12(10-14)17-8-9-18(24-17)19(21)13-6-7-15(20)16(11-13)23-2/h3-7,9-11,17H,8H2,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone?
(4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone has a molecular weight of 344.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-[2-(3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]methanone is sourced from PubChem (CID 66585085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).