11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione

C15H18O4 — CID 16742187

IUPAC11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione
SMILESO=C1CCc2ccccc2C(O)C(=O)CCCCO1
InChIInChI=1S/C15H18O4/c16-13-7-3-4-10-19-14(17)9-8-11-5-1-2-6-12(11)15(13)18/h1-2,5-6,15,18H,3-4,7-10H2
InChIKeyBRUPMHDPDMGATA-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.95
Rot. Bonds

About 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione

11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione (PubChem CID 16742187) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione.

Molecular Properties

Compound Name11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione
PubChem CID16742187
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione
SMILESO=C1CCc2ccccc2C(O)C(=O)CCCCO1
InChIInChI=1S/C15H18O4/c16-13-7-3-4-10-19-14(17)9-8-11-5-1-2-6-12(11)15(13)18/h1-2,5-6,15,18H,3-4,7-10H2
InChIKeyBRUPMHDPDMGATA-UHFFFAOYSA-N
XLogP1.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1,6-dioxacyclohexadecane-2,5-dione
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1,6-dioxacyclotridecane-7,13-dione
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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione?
The IUPAC name of 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione (CID 16742187) is 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione.
What is the SMILES notation for 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione?
The canonical SMILES for 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione is O=C1CCc2ccccc2C(O)C(=O)CCCCO1.
What is the InChIKey of 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione?
The InChIKey is BRUPMHDPDMGATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-13-7-3-4-10-19-14(17)9-8-11-5-1-2-6-12(11)15(13)18/h1-2,5-6,15,18H,3-4,7-10H2.
What are the key properties of 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione?
11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione has a molecular weight of 262.30 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-5-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-4,10-dione is sourced from PubChem (CID 16742187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).