2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone

C19H15FO2S — CID 162404397

IUPAC2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone
SMILESCOc1ccc(SC(F)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H15FO2S/c1-22-14-9-11-15(12-10-14)23-19(20)18(21)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,19H,1H3
InChIKeyDAERAVYMSZMFDW-UHFFFAOYSA-N
MW326.39 g/mol
LogP5.12
Rot. Bonds5

About 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone

2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone (PubChem CID 162404397) has the molecular formula C19H15FO2S and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone
PubChem CID162404397
Molecular FormulaC19H15FO2S
Molecular Weight326.39 g/mol
Exact Mass326.08
IUPAC Name2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone
SMILESCOc1ccc(SC(F)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H15FO2S/c1-22-14-9-11-15(12-10-14)23-19(20)18(21)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,19H,1H3
InChIKeyDAERAVYMSZMFDW-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[2-(4-Methoxythiophen-2-yl)-2-oxoethylidene]anthracen-9-one
CID 24815746
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CID 24957424
(9Z)-9-[(4-methoxyphenyl)methylidene]benzo[f][1]benzothiol-4-one
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3-(4-Methoxyphenyl)-1-phenyl-3-phenylsulfanylpropan-1-one
CID 11727777
(3Z)-6-fluoro-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one
CID 5703551
2,3-Bis[(3-methoxyphenyl)sulfanyl]naphthalene-1,4-dione
CID 42600204
3-(4-Methoxyphenyl)-1-(4-methoxyphenyl)-3-phenylsulphanylpropan-1-one
CID 53494870
4-Hydroxy-3-[(4-methoxyphenyl)sulfanylmethyl]naphthalene-1,2-dione
CID 71569074
4-(4-Methoxyphenyl)sulfanylnaphthalene-1,2-dione
CID 85724049
7-(4-Methoxyphenyl)sulfanyl-3-oxophenalene-1,2-dicarbonitrile
CID 101903118
5-(4-Methoxyphenyl)sulfanylnaphthalene-1,4-dione
CID 139193424
6-Fluoro-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one
CID 2741209

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone?
The IUPAC name of 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone (CID 162404397) is 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone is COc1ccc(SC(F)C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone?
The InChIKey is DAERAVYMSZMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO2S/c1-22-14-9-11-15(12-10-14)23-19(20)18(21)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,19H,1H3.
What are the key properties of 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone?
2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone has a molecular weight of 326.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone is sourced from PubChem (CID 162404397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).