[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone

C23H22O2S — CID 102511766

IUPAC[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
SMILESCCSc1c(C)c(-c2ccc(C)cc2)cc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C23H22O2S/c1-4-26-23-16(3)19(17-12-10-15(2)11-13-17)14-20(24)21(23)22(25)18-8-6-5-7-9-18/h5-14,24H,4H2,1-3H3
InChIKeyGENMIEFNBQLVMS-UHFFFAOYSA-N
MW362.49 g/mol
LogP6.02
Rot. Bonds5

About [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone

[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone (PubChem CID 102511766) has the molecular formula C23H22O2S and a molecular weight of 362.49 g/mol. Its IUPAC name is [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
PubChem CID102511766
Molecular FormulaC23H22O2S
Molecular Weight362.49 g/mol
Exact Mass362.13
IUPAC Name[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone
SMILESCCSc1c(C)c(-c2ccc(C)cc2)cc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C23H22O2S/c1-4-26-23-16(3)19(17-12-10-15(2)11-13-17)14-20(24)21(23)22(25)18-8-6-5-7-9-18/h5-14,24H,4H2,1-3H3
InChIKeyGENMIEFNBQLVMS-UHFFFAOYSA-N
XLogP6.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-benzoyl-2-ethylsulfanyl-4-hydroxy-6-(4-methylphenyl)phenyl]-phenylmethanone
CID 102414302
[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
CID 102414300
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
diphenylmethanone;ethane;toluene
CID 157406780
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
The IUPAC name of [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone (CID 102511766) is [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone is CCSc1c(C)c(-c2ccc(C)cc2)cc(O)c1C(=O)c1ccccc1.
What is the InChIKey of [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
The InChIKey is GENMIEFNBQLVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2S/c1-4-26-23-16(3)19(17-12-10-15(2)11-13-17)14-20(24)21(23)22(25)18-8-6-5-7-9-18/h5-14,24H,4H2,1-3H3.
What are the key properties of [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone?
[2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone has a molecular weight of 362.49 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-6-hydroxy-3-methyl-4-(4-methylphenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 102511766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).