2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol

C23H24O5S — CID 59972171

IUPAC2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol
SMILESCCc1cc(S(=O)(=O)c2ccc(O)cc2)cc(Cc2cc(C)cc(C)c2O)c1O
InChIInChI=1S/C23H24O5S/c1-4-16-12-21(29(27,28)20-7-5-19(24)6-8-20)13-18(23(16)26)11-17-10-14(2)9-15(3)22(17)25/h5-10,12-13,24-26H,4,11H2,1-3H3
InChIKeyAODHJCPFMJGPKX-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.41
Rot. Bonds5

About 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol

2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol (PubChem CID 59972171) has the molecular formula C23H24O5S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol
PubChem CID59972171
Molecular FormulaC23H24O5S
Molecular Weight412.51 g/mol
Exact Mass412.13
IUPAC Name2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol
SMILESCCc1cc(S(=O)(=O)c2ccc(O)cc2)cc(Cc2cc(C)cc(C)c2O)c1O
InChIInChI=1S/C23H24O5S/c1-4-16-12-21(29(27,28)20-7-5-19(24)6-8-20)13-18(23(16)26)11-17-10-14(2)9-15(3)22(17)25/h5-10,12-13,24-26H,4,11H2,1-3H3
InChIKeyAODHJCPFMJGPKX-UHFFFAOYSA-N
XLogP4.41
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol 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

2-ethyl-6-[(2-hydroxy-3-methylphenyl)methyl]-4-(4-hydroxyphenyl)sulfonylphenol
CID 59331143
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786
(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
CID 117341424
CID 70636806
CID 70636806
5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
CID 101301628
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol (CID 59972171) is 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol is CCc1cc(S(=O)(=O)c2ccc(O)cc2)cc(Cc2cc(C)cc(C)c2O)c1O.
What is the InChIKey of 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol?
The InChIKey is AODHJCPFMJGPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5S/c1-4-16-12-21(29(27,28)20-7-5-19(24)6-8-20)13-18(23(16)26)11-17-10-14(2)9-15(3)22(17)25/h5-10,12-13,24-26H,4,11H2,1-3H3.
What are the key properties of 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol?
2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol has a molecular weight of 412.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol is sourced from PubChem (CID 59972171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).