12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol

C18H21NO2 — CID 11778580

IUPAC12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol
SMILESCN1CCOc2cc(O)ccc2Cc2ccccc2CC1
InChIInChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3
InChIKeyXVDINFILZLZVNV-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.85
Rot. Bonds

About 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol

12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol (PubChem CID 11778580) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol.

Molecular Properties

Compound Name12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol
PubChem CID11778580
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol
SMILESCN1CCOc2cc(O)ccc2Cc2ccccc2CC1
InChIInChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3
InChIKeyXVDINFILZLZVNV-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol?
The IUPAC name of 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol (CID 11778580) is 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol.
What is the SMILES notation for 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol?
The canonical SMILES for 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol is CN1CCOc2cc(O)ccc2Cc2ccccc2CC1.
What is the InChIKey of 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol?
The InChIKey is XVDINFILZLZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3.
What are the key properties of 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol?
12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol has a molecular weight of 283.37 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-9-oxa-12-azatricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaen-6-ol is sourced from PubChem (CID 11778580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).