4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid

C20H18O7S2 — CID 19033746

IUPAC4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid
SMILESCC(c1ccccc1)c1cc(S(=O)(=O)O)c(-c2ccccc2)c(S(=O)(=O)O)c1O
InChIInChI=1S/C20H18O7S2/c1-13(14-8-4-2-5-9-14)16-12-17(28(22,23)24)18(15-10-6-3-7-11-15)20(19(16)21)29(25,26)27/h2-13,21H,1H3,(H,22,23,24)(H,25,26,27)
InChIKeyUVWMDMWXCATDLS-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.70
Rot. Bonds5

About 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid

4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid (PubChem CID 19033746) has the molecular formula C20H18O7S2 and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid
PubChem CID19033746
Molecular FormulaC20H18O7S2
Molecular Weight434.49 g/mol
Exact Mass434.05
IUPAC Name4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid
SMILESCC(c1ccccc1)c1cc(S(=O)(=O)O)c(-c2ccccc2)c(S(=O)(=O)O)c1O
InChIInChI=1S/C20H18O7S2/c1-13(14-8-4-2-5-9-14)16-12-17(28(22,23)24)18(15-10-6-3-7-11-15)20(19(16)21)29(25,26)27/h2-13,21H,1H3,(H,22,23,24)(H,25,26,27)
InChIKeyUVWMDMWXCATDLS-UHFFFAOYSA-N
XLogP3.70
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-4-phenyl-5-(1-phenylethyl)benzenesulfonic acid
CID 54384791
2-hydroxy-4-methyl-3,5-bis(1-phenylethyl)benzenesulfonic acid
CID 19033629
4-hydroxy-2-methyl-5-(1-phenylethyl)benzenesulfonic acid
CID 19033725
3-phenyl-2,4-di(propan-2-yl)benzenesulfonic acid
CID 175728387
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392
3-(1,3-diphenylbutyl)-2,6-dihydroxybenzenesulfonic acid
CID 57306662
4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
CID 23045364
4-methyl-2,3,5-triphenylbenzenesulfonic acid;phosphane
CID 174911967
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
5-(1,3-diphenylbutyl)-2-hydroxy-4-methylbenzenesulfonic acid
CID 19033723
4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol
CID 164762243
5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
CID 19602303

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid?
The IUPAC name of 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid (CID 19033746) is 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid.
What is the SMILES notation for 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid?
The canonical SMILES for 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid is CC(c1ccccc1)c1cc(S(=O)(=O)O)c(-c2ccccc2)c(S(=O)(=O)O)c1O.
What is the InChIKey of 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid?
The InChIKey is UVWMDMWXCATDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7S2/c1-13(14-8-4-2-5-9-14)16-12-17(28(22,23)24)18(15-10-6-3-7-11-15)20(19(16)21)29(25,26)27/h2-13,21H,1H3,(H,22,23,24)(H,25,26,27).
What are the key properties of 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid?
4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid has a molecular weight of 434.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-5-(1-phenylethyl)benzene-1,3-disulfonic acid is sourced from PubChem (CID 19033746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).