4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol

C16H14O4S — CID 122394472

IUPAC4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol
SMILESO=S1(=O)CC(c2ccc(O)cc2)=C(c2ccc(O)cc2)C1
InChIInChI=1S/C16H14O4S/c17-13-5-1-11(2-6-13)15-9-21(19,20)10-16(15)12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2
InChIKeyWTIPNJGTHSVJRN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.44
Rot. Bonds2

About 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol

4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol (PubChem CID 122394472) has the molecular formula C16H14O4S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol
PubChem CID122394472
Molecular FormulaC16H14O4S
Molecular Weight302.35 g/mol
Exact Mass302.06
IUPAC Name4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol
SMILESO=S1(=O)CC(c2ccc(O)cc2)=C(c2ccc(O)cc2)C1
InChIInChI=1S/C16H14O4S/c17-13-5-1-11(2-6-13)15-9-21(19,20)10-16(15)12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2
InChIKeyWTIPNJGTHSVJRN-UHFFFAOYSA-N
XLogP2.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol (CID 122394472) is 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol is O=S1(=O)CC(c2ccc(O)cc2)=C(c2ccc(O)cc2)C1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol?
The InChIKey is WTIPNJGTHSVJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4S/c17-13-5-1-11(2-6-13)15-9-21(19,20)10-16(15)12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2.
What are the key properties of 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol?
4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol has a molecular weight of 302.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-1,1-dioxo-2,5-dihydrothiophen-3-yl]phenol is sourced from PubChem (CID 122394472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).