1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one

C19H20O2S — CID 90752671

IUPAC1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one
SMILESCc1ccc(S(=O)CC(=O)CCC=Cc2ccccc2)cc1
InChIInChI=1S/C19H20O2S/c1-16-11-13-19(14-12-16)22(21)15-18(20)10-6-5-9-17-7-3-2-4-8-17/h2-5,7-9,11-14H,6,10,15H2,1H3
InChIKeyJCPMWXHMLBXFCR-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.17
Rot. Bonds7

About 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one

1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one (PubChem CID 90752671) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one
PubChem CID90752671
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one
SMILESCc1ccc(S(=O)CC(=O)CCC=Cc2ccccc2)cc1
InChIInChI=1S/C19H20O2S/c1-16-11-13-19(14-12-16)22(21)15-18(20)10-6-5-9-17-7-3-2-4-8-17/h2-5,7-9,11-14H,6,10,15H2,1H3
InChIKeyJCPMWXHMLBXFCR-UHFFFAOYSA-N
XLogP4.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
CID 97654
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CID 3127843
4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone
CID 683678
(p-Tolylsulphonyl)acetone
CID 79327
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471
(4-Methylphenyl){3-[(4-methylphenyl)sulfonyl]propyl}dioxo-lambda~6~-sulfane
CID 1483198
3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-enone
CID 9818233
1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 757561
1-Methyl-4-({3-[(4-methylphenyl)sulfonyl]-1-propenyl}sulfonyl)benzene
CID 997348
1-(Benzylsulfinyl)-4-methylbenzene
CID 139139
2-Methyl-5-[(4-methylphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
CID 276581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one (CID 90752671) is 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one is Cc1ccc(S(=O)CC(=O)CCC=Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one?
The InChIKey is JCPMWXHMLBXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2S/c1-16-11-13-19(14-12-16)22(21)15-18(20)10-6-5-9-17-7-3-2-4-8-17/h2-5,7-9,11-14H,6,10,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one?
1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one has a molecular weight of 312.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfinyl-6-phenylhex-5-en-2-one is sourced from PubChem (CID 90752671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).