1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene

C22H22OS — CID 58252653

IUPAC1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene
SMILESCCCc1cccc(S(=O)c2ccc(-c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C22H22OS/c1-3-5-18-6-4-7-22(16-18)24(23)21-14-12-20(13-15-21)19-10-8-17(2)9-11-19/h4,6-16H,3,5H2,1-2H3
InChIKeyRLRACQXRHDJTSM-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.78
Rot. Bonds5

About 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene

1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene (PubChem CID 58252653) has the molecular formula C22H22OS and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene
PubChem CID58252653
Molecular FormulaC22H22OS
Molecular Weight334.48 g/mol
Exact Mass334.14
IUPAC Name1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene
SMILESCCCc1cccc(S(=O)c2ccc(-c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C22H22OS/c1-3-5-18-6-4-7-22(16-18)24(23)21-14-12-20(13-15-21)19-10-8-17(2)9-11-19/h4,6-16H,3,5H2,1-2H3
InChIKeyRLRACQXRHDJTSM-UHFFFAOYSA-N
XLogP5.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(4-propylphenyl)benzene
CID 157416879
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
1-(4-methylphenyl)sulfinyl-2-propylbenzene
CID 85436148
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-(cyclopentylmethylsulfinyl)-3-propylbenzene
CID 68641839
2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene
CID 59167193
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
1-phenyl-3-propylbenzene
CID 4110465
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
4-methyl-2-(3-propylphenyl)phenol
CID 116546527
N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide
CID 70626035

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene?
The IUPAC name of 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene (CID 58252653) is 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene.
What is the SMILES notation for 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene?
The canonical SMILES for 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene is CCCc1cccc(S(=O)c2ccc(-c3ccc(C)cc3)cc2)c1.
What is the InChIKey of 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene?
The InChIKey is RLRACQXRHDJTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OS/c1-3-5-18-6-4-7-22(16-18)24(23)21-14-12-20(13-15-21)19-10-8-17(2)9-11-19/h4,6-16H,3,5H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene?
1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene has a molecular weight of 334.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene is sourced from PubChem (CID 58252653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).