2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol

C16H16O4S — CID 67627548

IUPAC2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol
SMILESCC=CCc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C16H16O4S/c1-2-3-4-12-11-15(9-10-16(12)18)21(19,20)14-7-5-13(17)6-8-14/h2-3,5-11,17-18H,4H2,1H3
InChIKeyZCISILFCQQCXTO-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.05
Rot. Bonds4

About 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol

2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol (PubChem CID 67627548) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol
PubChem CID67627548
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol
SMILESCC=CCc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C16H16O4S/c1-2-3-4-12-11-15(9-10-16(12)18)21(19,20)14-7-5-13(17)6-8-14/h2-3,5-11,17-18H,4H2,1H3
InChIKeyZCISILFCQQCXTO-UHFFFAOYSA-N
XLogP3.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol
CID 14121742
4-(4-prop-1-enylphenyl)sulfonylphenol
CID 67220481
CID 70636806
CID 70636806
4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol
CID 22283889
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
4-(3-methylphenyl)sulfonylphenol
CID 19739466
formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 170852655
2-butyl-4-(4-methoxyphenyl)sulfonylphenol
CID 19967682
5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
CID 101301628
4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol
CID 176631821
bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene
CID 167557969
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol (CID 67627548) is 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol is CC=CCc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol?
The InChIKey is ZCISILFCQQCXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-2-3-4-12-11-15(9-10-16(12)18)21(19,20)14-7-5-13(17)6-8-14/h2-3,5-11,17-18H,4H2,1H3.
What are the key properties of 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol?
2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol has a molecular weight of 304.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 67627548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).