(1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol

C20H23NO2 — CID 90843850

IUPAC(1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
SMILESCC(C)c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3[C@H]3C[C@H]32)cc1
InChIInChI=1S/C20H23NO2/c1-10(2)11-3-5-12(6-4-11)21-19(22)17-13-7-8-14(16-9-15(13)16)18(17)20(21)23/h3-6,10,13-16,22-23H,7-9H2,1-2H3/t13-,14+,15+,16-
InChIKeyIBDFORVOBXDKGM-SYMSYNOKSA-N
MW309.41 g/mol
LogP4.62
Rot. Bonds2

About (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol

(1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol (PubChem CID 90843850) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name(1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
PubChem CID90843850
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
SMILESCC(C)c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3[C@H]3C[C@H]32)cc1
InChIInChI=1S/C20H23NO2/c1-10(2)11-3-5-12(6-4-11)21-19(22)17-13-7-8-14(16-9-15(13)16)18(17)20(21)23/h3-6,10,13-16,22-23H,7-9H2,1-2H3/t13-,14+,15+,16-
InChIKeyIBDFORVOBXDKGM-SYMSYNOKSA-N
XLogP4.62
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol with MolForge

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Related Compounds

(1R,7R,10R)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
CID 91538747
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945
(3aR,7aS)-5,6-dimethyl-2-(4-propan-2-ylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6925867
2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121262109
4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione
CID 125492272
1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine
CID 178164584
4-(4-propan-2-ylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2872644
(1R,2R,6S,7R)-4-(4-propan-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23309690
3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 170442503
(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine
CID 121262106
1-(4-propan-2-ylphenyl)azetidin-3-amine
CID 117002806
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609

Frequently Asked Questions

What is the IUPAC name of (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
The IUPAC name of (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol (CID 90843850) is (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol.
What is the SMILES notation for (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
The canonical SMILES for (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol is CC(C)c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3[C@H]3C[C@H]32)cc1.
What is the InChIKey of (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
The InChIKey is IBDFORVOBXDKGM-SYMSYNOKSA-N. The full InChI is InChI=1S/C20H23NO2/c1-10(2)11-3-5-12(6-4-11)21-19(22)17-13-7-8-14(16-9-15(13)16)18(17)20(21)23/h3-6,10,13-16,22-23H,7-9H2,1-2H3/t13-,14+,15+,16-.
What are the key properties of (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
(1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol has a molecular weight of 309.41 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,8S,10R)-4-(4-propan-2-ylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol is sourced from PubChem (CID 90843850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).