6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one

C25H24O4 — CID 54273261

IUPAC6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one
SMILESCOc1cc2c(c3ccccc13)OC1(C=C2)C(=O)OC23CC4CC(CC(C4)C21)C3
InChIInChI=1S/C25H24O4/c1-27-20-11-16-6-7-25(28-21(16)19-5-3-2-4-18(19)20)22-17-9-14-8-15(10-17)13-24(22,12-14)29-23(25)26/h2-7,11,14-15,17,22H,8-10,12-13H2,1H3
InChIKeyRLQNDCFMBFXJIP-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.74
Rot. Bonds1

About 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one

6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one (PubChem CID 54273261) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one.

Molecular Properties

Compound Name6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one
PubChem CID54273261
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one
SMILESCOc1cc2c(c3ccccc13)OC1(C=C2)C(=O)OC23CC4CC(CC(C4)C21)C3
InChIInChI=1S/C25H24O4/c1-27-20-11-16-6-7-25(28-21(16)19-5-3-2-4-18(19)20)22-17-9-14-8-15(10-17)13-24(22,12-14)29-23(25)26/h2-7,11,14-15,17,22H,8-10,12-13H2,1H3
InChIKeyRLQNDCFMBFXJIP-UHFFFAOYSA-N
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one?
The IUPAC name of 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one (CID 54273261) is 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one.
What is the SMILES notation for 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one?
The canonical SMILES for 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one is COc1cc2c(c3ccccc13)OC1(C=C2)C(=O)OC23CC4CC(CC(C4)C21)C3.
What is the InChIKey of 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one?
The InChIKey is RLQNDCFMBFXJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-27-20-11-16-6-7-25(28-21(16)19-5-3-2-4-18(19)20)22-17-9-14-8-15(10-17)13-24(22,12-14)29-23(25)26/h2-7,11,14-15,17,22H,8-10,12-13H2,1H3.
What are the key properties of 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one?
6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one has a molecular weight of 388.46 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxyspiro[2-oxatetracyclo[6.3.1.16,10.01,5]tridecane-4,2'-benzo[h]chromene]-3-one is sourced from PubChem (CID 54273261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).