(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate

C19H15FO3S — CID 32996649

IUPAC(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate
SMILESCOc1ccc2ccc(OC(=O)CSc3ccccc3F)cc2c1
InChIInChI=1S/C19H15FO3S/c1-22-15-8-6-13-7-9-16(11-14(13)10-15)23-19(21)12-24-18-5-3-2-4-17(18)20/h2-11H,12H2,1H3
InChIKeyGBRMJAFKVWXQEZ-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.69
Rot. Bonds5

About (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate

(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 32996649) has the molecular formula C19H15FO3S and a molecular weight of 342.39 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate
PubChem CID32996649
Molecular FormulaC19H15FO3S
Molecular Weight342.39 g/mol
Exact Mass342.07
IUPAC Name(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate
SMILESCOc1ccc2ccc(OC(=O)CSc3ccccc3F)cc2c1
InChIInChI=1S/C19H15FO3S/c1-22-15-8-6-13-7-9-16(11-14(13)10-15)23-19(21)12-24-18-5-3-2-4-17(18)20/h2-11H,12H2,1H3
InChIKeyGBRMJAFKVWXQEZ-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 18162327
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
CID 9418010
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
(4-methoxyphenyl) 2-benzhydrylsulfanylacetate
CID 18286545
1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218865
(7-methoxynaphthalen-2-yl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46690882
(2-fluorophenyl) 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78776785
(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
CID 46820145
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
CID 7581544
naphthalen-2-yl 3-aminopropanoate
CID 82113672
2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724258

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate (CID 32996649) is (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate is COc1ccc2ccc(OC(=O)CSc3ccccc3F)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is GBRMJAFKVWXQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3S/c1-22-15-8-6-13-7-9-16(11-14(13)10-15)23-19(21)12-24-18-5-3-2-4-17(18)20/h2-11H,12H2,1H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate?
(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 342.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 32996649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).