4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol

C18H18O4S — CID 833466

IUPAC4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol
SMILESC=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChIKeyMTMKZABGIQJAEX-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.39
Rot. Bonds6

About 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol

4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol (PubChem CID 833466) has the molecular formula C18H18O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol
PubChem CID833466
Molecular FormulaC18H18O4S
Molecular Weight330.41 g/mol
Exact Mass330.09
IUPAC Name4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol
SMILESC=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChIKeyMTMKZABGIQJAEX-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol?
The IUPAC name of 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol (CID 833466) is 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol.
What is the SMILES notation for 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol?
The canonical SMILES for 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol is C=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol?
The InChIKey is MTMKZABGIQJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2.
What are the key properties of 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol?
4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol 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-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol is sourced from PubChem (CID 833466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).