1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one

C23H20OS — CID 67828986

IUPAC1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
SMILESCCSc1ccc(C(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20OS/c1-2-25-22-15-13-21(14-16-22)23(24)17-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChIKeyUXCDMPLNKDJMDX-UHFFFAOYSA-N
MW344.48 g/mol
LogP6.36
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one

1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 67828986) has the molecular formula C23H20OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
PubChem CID67828986
Molecular FormulaC23H20OS
Molecular Weight344.48 g/mol
Exact Mass344.12
IUPAC Name1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
SMILESCCSc1ccc(C(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20OS/c1-2-25-22-15-13-21(14-16-22)23(24)17-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChIKeyUXCDMPLNKDJMDX-UHFFFAOYSA-N
XLogP6.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
(E)-3-(3,5-dimethylphenyl)-1-(4-ethylsulfanylphenyl)prop-2-en-1-one
CID 19824777
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
(E)-3-(3-ethylphenyl)-1-(4-ethylsulfanylphenyl)prop-2-en-1-one
CID 19824584
(E)-3-[3,5-bis(dimethylamino)phenyl]-1-(4-ethylsulfanylphenyl)prop-2-en-1-one
CID 19824603
1-(4-ethylsulfanylphenyl)-3-(3-propylphenyl)prop-2-en-1-one
CID 67828406
(E)-3-[3-(dimethylamino)phenyl]-1-(4-ethylsulfanylphenyl)prop-2-en-1-one
CID 19824538
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-1,3-bis(4-methylsulfanylphenyl)prop-2-en-1-one
CID 5378556
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one (CID 67828986) is 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one is CCSc1ccc(C(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is UXCDMPLNKDJMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20OS/c1-2-25-22-15-13-21(14-16-22)23(24)17-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-17H,2H2,1H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one?
1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 344.48 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 67828986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).