4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol

C16H23NO2 — CID 90123000

IUPAC4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol
SMILESCOc1ccc2c(c1)C1(O)CCN(C)C(C2)C1(C)C
InChIInChI=1S/C16H23NO2/c1-15(2)14-9-11-5-6-12(19-4)10-13(11)16(15,18)7-8-17(14)3/h5-6,10,14,18H,7-9H2,1-4H3
InChIKeyFLIJIAVZYWDPGL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.17
Rot. Bonds1

About 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol

4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol (PubChem CID 90123000) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol.

Molecular Properties

Compound Name4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol
PubChem CID90123000
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol
SMILESCOc1ccc2c(c1)C1(O)CCN(C)C(C2)C1(C)C
InChIInChI=1S/C16H23NO2/c1-15(2)14-9-11-5-6-12(19-4)10-13(11)16(15,18)7-8-17(14)3/h5-6,10,14,18H,7-9H2,1-4H3
InChIKeyFLIJIAVZYWDPGL-UHFFFAOYSA-N
XLogP2.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-10-ol
CID 24939833
(1R,10S,11R)-4-ethyl-10-hydroxy-16-methoxy-21-methyl-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaen-5-one
CID 134450516
4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine
CID 623527
(4aS,7aS,12bS)-11-methoxy-7-methyl-2,3,4,5,6,7a,8,12b-octahydro-1H-phenanthro[9,8a-b]pyrrole
CID 125471675
(1S,9R,13E)-4-methoxy-13-(methoxymethylidene)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 118507305
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
(1R,9R,10S)-4-methoxy-12,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118583905
6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950918
(12-imino-4-methoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-10-yl) acetate
CID 123510307
(10S,11R)-4-ethyl-10-hydroxy-16-methoxy-21-methyl-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carboxylic acid
CID 144978494
(13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 90153444
(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol?
The IUPAC name of 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol (CID 90123000) is 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol.
What is the SMILES notation for 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol?
The canonical SMILES for 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol is COc1ccc2c(c1)C1(O)CCN(C)C(C2)C1(C)C.
What is the InChIKey of 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol?
The InChIKey is FLIJIAVZYWDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2)14-9-11-5-6-12(19-4)10-13(11)16(15,18)7-8-17(14)3/h5-6,10,14,18H,7-9H2,1-4H3.
What are the key properties of 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol?
4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol is sourced from PubChem (CID 90123000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).