1-(4-ethylsulfanylphenyl)nonan-1-one

C17H26OS — CID 106847827

IUPAC1-(4-ethylsulfanylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(SCC)cc1
InChIInChI=1S/C17H26OS/c1-3-5-6-7-8-9-10-17(18)15-11-13-16(14-12-15)19-4-2/h11-14H,3-10H2,1-2H3
InChIKeyWBQUMXJSNIRTLW-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.73
Rot. Bonds10

About 1-(4-ethylsulfanylphenyl)nonan-1-one

1-(4-ethylsulfanylphenyl)nonan-1-one (PubChem CID 106847827) has the molecular formula C17H26OS and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)nonan-1-one
PubChem CID106847827
Molecular FormulaC17H26OS
Molecular Weight278.46 g/mol
Exact Mass278.17
IUPAC Name1-(4-ethylsulfanylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(SCC)cc1
InChIInChI=1S/C17H26OS/c1-3-5-6-7-8-9-10-17(18)15-11-13-16(14-12-15)19-4-2/h11-14H,3-10H2,1-2H3
InChIKeyWBQUMXJSNIRTLW-UHFFFAOYSA-N
XLogP5.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(4-nonylsulfanylphenyl)butan-1-one
CID 98903878
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(4-ethylsulfanylphenyl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052815
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-phenylheptadecan-1-one
CID 577626
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione
CID 18183648

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)nonan-1-one?
The IUPAC name of 1-(4-ethylsulfanylphenyl)nonan-1-one (CID 106847827) is 1-(4-ethylsulfanylphenyl)nonan-1-one.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)nonan-1-one?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)nonan-1-one is CCCCCCCCC(=O)c1ccc(SCC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)nonan-1-one?
The InChIKey is WBQUMXJSNIRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OS/c1-3-5-6-7-8-9-10-17(18)15-11-13-16(14-12-15)19-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)nonan-1-one?
1-(4-ethylsulfanylphenyl)nonan-1-one has a molecular weight of 278.46 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)nonan-1-one is sourced from PubChem (CID 106847827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).