(4-phenoxyphenyl) 2-phenylethenesulfonate

C20H16O4S — CID 4208606

IUPAC(4-phenoxyphenyl) 2-phenylethenesulfonate
SMILESO=S(=O)(C=Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16O4S/c21-25(22,16-15-17-7-3-1-4-8-17)24-20-13-11-19(12-14-20)23-18-9-5-2-6-10-18/h1-16H
InChIKeyNLKCPIOSGCIJPD-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.86
Rot. Bonds6

About (4-phenoxyphenyl) 2-phenylethenesulfonate

(4-phenoxyphenyl) 2-phenylethenesulfonate (PubChem CID 4208606) has the molecular formula C20H16O4S and a molecular weight of 352.41 g/mol. Its IUPAC name is (4-phenoxyphenyl) 2-phenylethenesulfonate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 2-phenylethenesulfonate
PubChem CID4208606
Molecular FormulaC20H16O4S
Molecular Weight352.41 g/mol
Exact Mass352.08
IUPAC Name(4-phenoxyphenyl) 2-phenylethenesulfonate
SMILESO=S(=O)(C=Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16O4S/c21-25(22,16-15-17-7-3-1-4-8-17)24-20-13-11-19(12-14-20)23-18-9-5-2-6-10-18/h1-16H
InChIKeyNLKCPIOSGCIJPD-UHFFFAOYSA-N
XLogP4.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

phenyl (E)-2-(4-fluorophenyl)ethenesulfonate
CID 87461521
1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenoxy]benzene;sulfuric acid
CID 172784219
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
[4-(2-phenylethenyl)phenyl] hydrogen sulfate
CID 175093290
(E)-N-(5-phenoxy-2-pyridinyl)-2-phenylethenesulfonamide
CID 86904914
lanthanum;phosphanyl 2-phenylethenesulfonate
CID 175140449
carboxy 2-phenylethenesulfonate
CID 174718044
(4-methylphenyl) (E)-2-(4-chlorophenyl)ethenesulfonate
CID 26946341
but-1-enylbenzene;phenoxybenzene
CID 175609674
azane;phenoxybenzene;sulfuric acid
CID 66973780
CID 161089433
CID 161089433
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 2-phenylethenesulfonate?
The IUPAC name of (4-phenoxyphenyl) 2-phenylethenesulfonate (CID 4208606) is (4-phenoxyphenyl) 2-phenylethenesulfonate.
What is the SMILES notation for (4-phenoxyphenyl) 2-phenylethenesulfonate?
The canonical SMILES for (4-phenoxyphenyl) 2-phenylethenesulfonate is O=S(=O)(C=Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) 2-phenylethenesulfonate?
The InChIKey is NLKCPIOSGCIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4S/c21-25(22,16-15-17-7-3-1-4-8-17)24-20-13-11-19(12-14-20)23-18-9-5-2-6-10-18/h1-16H.
What are the key properties of (4-phenoxyphenyl) 2-phenylethenesulfonate?
(4-phenoxyphenyl) 2-phenylethenesulfonate has a molecular weight of 352.41 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 2-phenylethenesulfonate is sourced from PubChem (CID 4208606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).