3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione

C22H16O4 — CID 118723716

IUPAC3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESO=C1C=CC2(C=C1)OC(=O)C(c1ccc(CO)cc1)=C2c1ccccc1
InChIInChI=1S/C22H16O4/c23-14-15-6-8-16(9-7-15)19-20(17-4-2-1-3-5-17)22(26-21(19)25)12-10-18(24)11-13-22/h1-13,23H,14H2
InChIKeyBCUSKIUTSKAPCI-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.08
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione

3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 118723716) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID118723716
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESO=C1C=CC2(C=C1)OC(=O)C(c1ccc(CO)cc1)=C2c1ccccc1
InChIInChI=1S/C22H16O4/c23-14-15-6-8-16(9-7-15)19-20(17-4-2-1-3-5-17)22(26-21(19)25)12-10-18(24)11-13-22/h1-13,23H,14H2
InChIKeyBCUSKIUTSKAPCI-UHFFFAOYSA-N
XLogP3.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
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 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 118723716) is 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione is O=C1C=CC2(C=C1)OC(=O)C(c1ccc(CO)cc1)=C2c1ccccc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is BCUSKIUTSKAPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c23-14-15-6-8-16(9-7-15)19-20(17-4-2-1-3-5-17)22(26-21(19)25)12-10-18(24)11-13-22/h1-13,23H,14H2.
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 344.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 118723716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).