4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol

C18H18O4S — CID 22283889

IUPAC4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol
SMILESC=CCc1c(O)ccc(S(=O)(=O)c2ccc(O)cc2)c1CC=C
InChIInChI=1S/C18H18O4S/c1-3-5-15-16(6-4-2)18(12-11-17(15)20)23(21,22)14-9-7-13(19)8-10-14/h3-4,7-12,19-20H,1-2,5-6H2
InChIKeyQTZJCRPTVVCRBZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.39
Rot. Bonds6

About 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol

4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol (PubChem CID 22283889) has the molecular formula C18H18O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol
PubChem CID22283889
Molecular FormulaC18H18O4S
Molecular Weight330.41 g/mol
Exact Mass330.09
IUPAC Name4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol
SMILESC=CCc1c(O)ccc(S(=O)(=O)c2ccc(O)cc2)c1CC=C
InChIInChI=1S/C18H18O4S/c1-3-5-15-16(6-4-2)18(12-11-17(15)20)23(21,22)14-9-7-13(19)8-10-14/h3-4,7-12,19-20H,1-2,5-6H2
InChIKeyQTZJCRPTVVCRBZ-UHFFFAOYSA-N
XLogP3.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.39
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
CID 70636806
CID 70636806
2-but-2-enyl-4-(4-hydroxyphenyl)sulfonylphenol
CID 67627548
3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301592
4-tert-butyl-2-prop-2-enylbenzene-1,3-diol
CID 88510816
4-(2,4-diethylphenyl)sulfonylphenol
CID 71331194
formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 170852655
4-(4-aminophenyl)sulfonylbenzene-1,3-diol
CID 23274890
sodium 2,3,4-tris(prop-2-enyl)benzenesulfonate
CID 88829241
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
CID 144998768
CID 144998768
4-(2-propan-2-ylphenyl)sulfonylphenol
CID 19759097

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol?
The IUPAC name of 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol (CID 22283889) is 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol is C=CCc1c(O)ccc(S(=O)(=O)c2ccc(O)cc2)c1CC=C.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol?
The InChIKey is QTZJCRPTVVCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4S/c1-3-5-15-16(6-4-2)18(12-11-17(15)20)23(21,22)14-9-7-13(19)8-10-14/h3-4,7-12,19-20H,1-2,5-6H2.
What are the key properties of 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol?
4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol has a molecular weight of 330.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfonyl-2,3-bis(prop-2-enyl)phenol is sourced from PubChem (CID 22283889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).