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

C19H17FO3S — CID 66584971

IUPAC[2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2=CCC(c3cccc(OC)c3F)S2)c1
InChIInChI=1S/C19H17FO3S/c1-22-13-6-3-5-12(11-13)19(21)17-10-9-16(24-17)14-7-4-8-15(23-2)18(14)20/h3-8,10-11,16H,9H2,1-2H3
InChIKeySQHSZHKUTXWPBH-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.79
Rot. Bonds5

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

[2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 66584971) has the molecular formula C19H17FO3S and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone
PubChem CID66584971
Molecular FormulaC19H17FO3S
Molecular Weight344.41 g/mol
Exact Mass344.09
IUPAC Name[2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2=CCC(c3cccc(OC)c3F)S2)c1
InChIInChI=1S/C19H17FO3S/c1-22-13-6-3-5-12(11-13)19(21)17-10-9-16(24-17)14-7-4-8-15(23-2)18(14)20/h3-8,10-11,16H,9H2,1-2H3
InChIKeySQHSZHKUTXWPBH-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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Related Compounds

(3-methoxyphenyl)-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-5-yl]methanone
CID 66585070
(2-cyclopentylphenyl)-(3-methoxyphenyl)methanone
CID 67555380
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
CID 114029861
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone (CID 66584971) is [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2=CCC(c3cccc(OC)c3F)S2)c1.
What is the InChIKey of [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is SQHSZHKUTXWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3S/c1-22-13-6-3-5-12(11-13)19(21)17-10-9-16(24-17)14-7-4-8-15(23-2)18(14)20/h3-8,10-11,16H,9H2,1-2H3.
What are the key properties of [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
[2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)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 [2-(2-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 66584971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).