4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol

C20H25NO3 — CID 123469538

IUPAC4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)C1CCCCCC1OCC2
InChIInChI=1S/C20H25NO3/c22-19-16-11-12-24-17-10-6-2-5-9-15(17)18(16)20(23)21(19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15,17,22-23H,2,5-6,9-13H2
InChIKeyUOZVJTHWUSOMMD-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.94
Rot. Bonds2

About 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol

4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol (PubChem CID 123469538) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol
PubChem CID123469538
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)C1CCCCCC1OCC2
InChIInChI=1S/C20H25NO3/c22-19-16-11-12-24-17-10-6-2-5-9-15(17)18(16)20(23)21(19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15,17,22-23H,2,5-6,9-13H2
InChIKeyUOZVJTHWUSOMMD-UHFFFAOYSA-N
XLogP3.94
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol with MolForge

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Related Compounds

4-(3-Hydroxy-2,2-dimethylpropyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-3,5-diol
CID 54198259
2-(2-Hydroxyethyl)-4,5-dihydro-[1]benzoxepino[4,5-c]pyrrole-1,3-diol
CID 54441142
1-(2-Ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol
CID 90753025
4-[3-(3-Phenylprop-2-enoxy)propyl]-1a,2,6,6a-tetrahydrooxireno[2,3-f]isoindole-3,5-diol
CID 90932591
3-(5-Butyl-4,5,8-triethyl-8-methyl-6-phenylundecan-4-yl)-4-(3-methylhexan-3-yl)-1-prop-2-enylpyrrole-2,5-diol
CID 91138313
1-Benzyl-3,4-bis(2-hydroxyethyl)pyrrole-2,5-diol
CID 91608007
2-Benzyl-4,5,7,8-tetrahydrooxepino[4,5-c]pyrrole-1,3-diol
CID 123928186
2-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208241
2-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208251

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol?
The IUPAC name of 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol (CID 123469538) is 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol.
What is the SMILES notation for 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol?
The canonical SMILES for 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1Cc1ccccc1)C1CCCCCC1OCC2.
What is the InChIKey of 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol?
The InChIKey is UOZVJTHWUSOMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-19-16-11-12-24-17-10-6-2-5-9-15(17)18(16)20(23)21(19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15,17,22-23H,2,5-6,9-13H2.
What are the key properties of 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol?
4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol has a molecular weight of 327.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-9-oxa-4-azatricyclo[8.5.0.02,6]pentadeca-2,5-diene-3,5-diol is sourced from PubChem (CID 123469538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).