[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone

C28H21ClO3S — CID 102414300

IUPAC[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
SMILESCCSc1c(C(=O)c2ccccc2)c(O)cc(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1
InChIInChI=1S/C28H21ClO3S/c1-2-33-28-24(26(31)19-9-5-3-6-10-19)22(18-13-15-21(29)16-14-18)17-23(30)25(28)27(32)20-11-7-4-8-12-20/h3-17,30H,2H2,1H3
InChIKeyPLBIVZCLBMOYHR-UHFFFAOYSA-N
MW472.99 g/mol
LogP7.29
Rot. Bonds7

About [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone

[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone (PubChem CID 102414300) has the molecular formula C28H21ClO3S and a molecular weight of 472.99 g/mol. Its IUPAC name is [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
PubChem CID102414300
Molecular FormulaC28H21ClO3S
Molecular Weight472.99 g/mol
Exact Mass472.09
IUPAC Name[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
SMILESCCSc1c(C(=O)c2ccccc2)c(O)cc(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1
InChIInChI=1S/C28H21ClO3S/c1-2-33-28-24(26(31)19-9-5-3-6-10-19)22(18-13-15-21(29)16-14-18)17-23(30)25(28)27(32)20-11-7-4-8-12-20/h3-17,30H,2H2,1H3
InChIKeyPLBIVZCLBMOYHR-UHFFFAOYSA-N
XLogP7.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-benzoyl-2-ethylsulfanyl-4-hydroxy-6-(4-methylphenyl)phenyl]-phenylmethanone
CID 102414302
[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
CID 102511766
4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide
CID 24949671
[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
CID 11289849
[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-phenylmethanone
CID 25030040
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
CID 19021727
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one
CID 132918687
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
[4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone
CID 138972087

Frequently Asked Questions

What is the IUPAC name of [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone (CID 102414300) is [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone is CCSc1c(C(=O)c2ccccc2)c(O)cc(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1.
What is the InChIKey of [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone?
The InChIKey is PLBIVZCLBMOYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClO3S/c1-2-33-28-24(26(31)19-9-5-3-6-10-19)22(18-13-15-21(29)16-14-18)17-23(30)25(28)27(32)20-11-7-4-8-12-20/h3-17,30H,2H2,1H3.
What are the key properties of [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone?
[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone has a molecular weight of 472.99 g/mol, XLogP of 7.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 102414300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).