(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one

C24H18O3 — CID 132535386

IUPAC(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one
SMILESO=C1C[C@H](c2ccccc2O)C2(O1)c1ccccc1C=Cc1ccccc12
InChIInChI=1S/C24H18O3/c25-22-12-6-3-9-18(22)21-15-23(26)27-24(21)19-10-4-1-7-16(19)13-14-17-8-2-5-11-20(17)24/h1-14,21,25H,15H2/t21-/m1/s1
InChIKeyISFWPXPOCNXRON-OAQYLSRUSA-N
MW354.41 g/mol
LogP4.85
Rot. Bonds1

About (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one

(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one (PubChem CID 132535386) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one.

Molecular Properties

Compound Name(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one
PubChem CID132535386
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one
SMILESO=C1C[C@H](c2ccccc2O)C2(O1)c1ccccc1C=Cc1ccccc12
InChIInChI=1S/C24H18O3/c25-22-12-6-3-9-18(22)21-15-23(26)27-24(21)19-10-4-1-7-16(19)13-14-17-8-2-5-11-20(17)24/h1-14,21,25H,15H2/t21-/m1/s1
InChIKeyISFWPXPOCNXRON-OAQYLSRUSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one?
The IUPAC name of (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one (CID 132535386) is (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one.
What is the SMILES notation for (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one?
The canonical SMILES for (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one is O=C1C[C@H](c2ccccc2O)C2(O1)c1ccccc1C=Cc1ccccc12.
What is the InChIKey of (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one?
The InChIKey is ISFWPXPOCNXRON-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18O3/c25-22-12-6-3-9-18(22)21-15-23(26)27-24(21)19-10-4-1-7-16(19)13-14-17-8-2-5-11-20(17)24/h1-14,21,25H,15H2/t21-/m1/s1.
What are the key properties of (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one?
(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one has a molecular weight of 354.41 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one is sourced from PubChem (CID 132535386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).