(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone

C16H15ClO2S — CID 13021630

IUPAC(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone
SMILESCCCS(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2S/c1-2-11-20(19)15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h3-10H,2,11H2,1H3
InChIKeyUOXJTFZOMASRPT-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.09
Rot. Bonds5

About (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone

(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone (PubChem CID 13021630) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone
PubChem CID13021630
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone
SMILESCCCS(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2S/c1-2-11-20(19)15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h3-10H,2,11H2,1H3
InChIKeyUOXJTFZOMASRPT-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfinyl-N-methylethanamine
CID 64659807
3-(4-chlorophenyl)sulfinylpropan-1-amine
CID 58684884
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
2-butylsulfinyl-1-(4-chlorophenyl)propan-1-one
CID 64639339
(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone
CID 18779865
2-(4-chlorophenyl)sulfinylbutanoic acid
CID 61304522
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
CID 1483853
ethyl 2-[4-[3-(4-chlorophenyl)sulfinylpropyl]phenyl]acetate
CID 14442081
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone (CID 13021630) is (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone is CCCS(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone?
The InChIKey is UOXJTFZOMASRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-2-11-20(19)15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h3-10H,2,11H2,1H3.
What are the key properties of (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone?
(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone has a molecular weight of 306.81 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-propylsulfinylphenyl)methanone is sourced from PubChem (CID 13021630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).