1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone

C18H13ClOS — CID 840044

IUPAC1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClOS/c19-16-8-5-14(6-9-16)18(20)12-21-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2
InChIKeyDEGQGOQICKWFFU-UHFFFAOYSA-N
MW312.82 g/mol
LogP5.47
Rot. Bonds4

About 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone

1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone (PubChem CID 840044) has the molecular formula C18H13ClOS and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
PubChem CID840044
Molecular FormulaC18H13ClOS
Molecular Weight312.82 g/mol
Exact Mass312.04
IUPAC Name1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClOS/c19-16-8-5-14(6-9-16)18(20)12-21-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2
InChIKeyDEGQGOQICKWFFU-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.82
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
1-(4-iodophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43218764
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43226526
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 173184639
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220181
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-naphthalen-2-ylethanone
CID 5026999

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone (CID 840044) is 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone is O=C(CSc1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone?
The InChIKey is DEGQGOQICKWFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClOS/c19-16-8-5-14(6-9-16)18(20)12-21-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2.
What are the key properties of 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone?
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone has a molecular weight of 312.82 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone is sourced from PubChem (CID 840044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).