(1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one

C15H16O3 — CID 7103173

IUPAC(1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one
SMILESO=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@H]3[C@@H]12
InChIInChI=1S/C15H16O3/c16-14-13-9-5-1-2-6-10(9)15(13,17)11-7-3-4-8-12(11)18-14/h3-4,7-10,13,17H,1-2,5-6H2/t9-,10-,13+,15-/m1/s1
InChIKeyRQWNVDAJWFMNDY-FRWLMAKKSA-N
MW244.29 g/mol
LogP2.23
Rot. Bonds

About (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one

(1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one (PubChem CID 7103173) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name(1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one
PubChem CID7103173
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one
SMILESO=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@H]3[C@@H]12
InChIInChI=1S/C15H16O3/c16-14-13-9-5-1-2-6-10(9)15(13,17)11-7-3-4-8-12(11)18-14/h3-4,7-10,13,17H,1-2,5-6H2/t9-,10-,13+,15-/m1/s1
InChIKeyRQWNVDAJWFMNDY-FRWLMAKKSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one?
The IUPAC name of (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one (CID 7103173) is (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one.
What is the SMILES notation for (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one?
The canonical SMILES for (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one is O=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@H]3[C@@H]12.
What is the InChIKey of (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one?
The InChIKey is RQWNVDAJWFMNDY-FRWLMAKKSA-N. The full InChI is InChI=1S/C15H16O3/c16-14-13-9-5-1-2-6-10(9)15(13,17)11-7-3-4-8-12(11)18-14/h3-4,7-10,13,17H,1-2,5-6H2/t9-,10-,13+,15-/m1/s1.
What are the key properties of (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one?
(1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one has a molecular weight of 244.29 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,11R,16R)-1-hydroxy-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6-trien-9-one is sourced from PubChem (CID 7103173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).