1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene

C15H15ClOS — CID 10923906

IUPAC1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
SMILESCc1ccc(S(=O)C(Cl)Cc2ccccc2)cc1
InChIInChI=1S/C15H15ClOS/c1-12-7-9-14(10-8-12)18(17)15(16)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyQLUDKOFHYWTTLH-UHFFFAOYSA-N
MW278.80 g/mol
LogP3.91
Rot. Bonds4

About 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene

1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene (PubChem CID 10923906) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
PubChem CID10923906
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
SMILESCc1ccc(S(=O)C(Cl)Cc2ccccc2)cc1
InChIInChI=1S/C15H15ClOS/c1-12-7-9-14(10-8-12)18(17)15(16)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyQLUDKOFHYWTTLH-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene
CID 11231845
1-[(1S)-1-chloroethyl]sulfinyl-4-methylbenzene
CID 102275551
1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol
CID 12696523
tert-butyl 4-chloro-4-(4-methylphenyl)sulfinyl-2-(2-phenylethyl)butanoate
CID 101422822
(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 10613755
1-[(S)-1-chloropent-4-enylsulfinyl]-4-methylbenzene
CID 134890517
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
1-methyl-4-(1-methylsulfinyl-2-phenylethyl)sulfonylbenzene
CID 86086800
(2R,3S)-2-[(benzylamino)methyl]-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylbutan-2-ol
CID 102439597
1-[(S)-[(S)-chloro(dimethoxyphosphoryl)methyl]sulfinyl]-4-methylbenzene
CID 10968485
1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene
CID 101074890

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene?
The IUPAC name of 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene (CID 10923906) is 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene.
What is the SMILES notation for 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene?
The canonical SMILES for 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene is Cc1ccc(S(=O)C(Cl)Cc2ccccc2)cc1.
What is the InChIKey of 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene?
The InChIKey is QLUDKOFHYWTTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-12-7-9-14(10-8-12)18(17)15(16)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3.
What are the key properties of 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene?
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene has a molecular weight of 278.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene is sourced from PubChem (CID 10923906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).