6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol

C18H20ClNO — CID 11573628

IUPAC6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol
SMILESCN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1
InChIInChI=1S/C18H20ClNO/c1-20-8-6-13-4-2-3-5-14(13)10-16-12-18(21)17(19)11-15(16)7-9-20/h2-5,11-12,21H,6-10H2,1H3
InChIKeyNVVFACNDFFNYNI-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.67
Rot. Bonds

About 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol

6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol (PubChem CID 11573628) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol.

Molecular Properties

Compound Name6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol
PubChem CID11573628
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol
SMILESCN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1
InChIInChI=1S/C18H20ClNO/c1-20-8-6-13-4-2-3-5-14(13)10-16-12-18(21)17(19)11-15(16)7-9-20/h2-5,11-12,21H,6-10H2,1H3
InChIKeyNVVFACNDFFNYNI-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol?
The IUPAC name of 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol (CID 11573628) is 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol.
What is the SMILES notation for 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol?
The canonical SMILES for 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol is CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1.
What is the InChIKey of 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol?
The InChIKey is NVVFACNDFFNYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-20-8-6-13-4-2-3-5-14(13)10-16-12-18(21)17(19)11-15(16)7-9-20/h2-5,11-12,21H,6-10H2,1H3.
What are the key properties of 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol?
6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol has a molecular weight of 301.82 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol is sourced from PubChem (CID 11573628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).