4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol

C24H18O6S — CID 141489304

IUPAC4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol
SMILESO=S(=O)(c1ccc(O)c(O)c1-c1ccccc1)c1ccc(O)c(O)c1-c1ccccc1
InChIInChI=1S/C24H18O6S/c25-17-11-13-19(21(23(17)27)15-7-3-1-4-8-15)31(29,30)20-14-12-18(26)24(28)22(20)16-9-5-2-6-10-16/h1-14,25-28H
InChIKeyQNMUWKSTUPMHJP-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.68
Rot. Bonds4

About 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol

4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol (PubChem CID 141489304) has the molecular formula C24H18O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol.

Molecular Properties

Compound Name4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol
PubChem CID141489304
Molecular FormulaC24H18O6S
Molecular Weight434.47 g/mol
Exact Mass434.08
IUPAC Name4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol
SMILESO=S(=O)(c1ccc(O)c(O)c1-c1ccccc1)c1ccc(O)c(O)c1-c1ccccc1
InChIInChI=1S/C24H18O6S/c25-17-11-13-19(21(23(17)27)15-7-3-1-4-8-15)31(29,30)20-14-12-18(26)24(28)22(20)16-9-5-2-6-10-16/h1-14,25-28H
InChIKeyQNMUWKSTUPMHJP-UHFFFAOYSA-N
XLogP4.68
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol?
The IUPAC name of 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol (CID 141489304) is 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol.
What is the SMILES notation for 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol?
The canonical SMILES for 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol is O=S(=O)(c1ccc(O)c(O)c1-c1ccccc1)c1ccc(O)c(O)c1-c1ccccc1.
What is the InChIKey of 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol?
The InChIKey is QNMUWKSTUPMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6S/c25-17-11-13-19(21(23(17)27)15-7-3-1-4-8-15)31(29,30)20-14-12-18(26)24(28)22(20)16-9-5-2-6-10-16/h1-14,25-28H.
What are the key properties of 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol?
4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol has a molecular weight of 434.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxy-2-phenylphenyl)sulfonyl-3-phenylbenzene-1,2-diol is sourced from PubChem (CID 141489304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).