actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol

C18H14Ac2O4 — CID 20721274

IUPACactinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol
SMILESCOc1cc2c(c3ccc(O)cc13)OCc1cc(O)ccc1-2.[Ac].[Ac]
InChIInChI=1S/C18H14O4.2Ac/c1-21-17-8-16-13-4-2-11(19)6-10(13)9-22-18(16)14-5-3-12(20)7-15(14)17;;/h2-8,19-20H,9H2,1H3;;
InChIKeyXVVHWHCBDWCZOP-UHFFFAOYSA-N
MW748.31 g/mol
LogP3.82
Rot. Bonds1

About actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol

actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol (PubChem CID 20721274) has the molecular formula C18H14Ac2O4 and a molecular weight of 748.31 g/mol. Its IUPAC name is actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol.

Molecular Properties

Compound Nameactinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol
PubChem CID20721274
Molecular FormulaC18H14Ac2O4
Molecular Weight748.31 g/mol
Exact Mass748.14
IUPAC Nameactinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol
SMILESCOc1cc2c(c3ccc(O)cc13)OCc1cc(O)ccc1-2.[Ac].[Ac]
InChIInChI=1S/C18H14O4.2Ac/c1-21-17-8-16-13-4-2-11(19)6-10(13)9-22-18(16)14-5-3-12(20)7-15(14)17;;/h2-8,19-20H,9H2,1H3;;
InChIKeyXVVHWHCBDWCZOP-UHFFFAOYSA-N
XLogP3.82
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500748.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol?
The IUPAC name of actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol (CID 20721274) is actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol.
What is the SMILES notation for actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol?
The canonical SMILES for actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol is COc1cc2c(c3ccc(O)cc13)OCc1cc(O)ccc1-2.[Ac].[Ac].
What is the InChIKey of actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol?
The InChIKey is XVVHWHCBDWCZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4.2Ac/c1-21-17-8-16-13-4-2-11(19)6-10(13)9-22-18(16)14-5-3-12(20)7-15(14)17;;/h2-8,19-20H,9H2,1H3;;.
What are the key properties of actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol?
actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol has a molecular weight of 748.31 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;12-methoxy-6H-naphtho[1,2-c]isochromene-2,8-diol is sourced from PubChem (CID 20721274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).