2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol

C18H15NO2 — CID 10468741

IUPAC2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol
SMILESCCc1c(-c2ccc(O)cc2)c2ccc3cc(O)cc1n32
InChIInChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
InChIKeyRHDBRQBCMWHOTA-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.17
Rot. Bonds2

About 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol

2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol (PubChem CID 10468741) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol.

Molecular Properties

Compound Name2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol
PubChem CID10468741
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol
SMILESCCc1c(-c2ccc(O)cc2)c2ccc3cc(O)cc1n32
InChIInChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
InChIKeyRHDBRQBCMWHOTA-UHFFFAOYSA-N
XLogP4.17
TPSA44.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol?
The IUPAC name of 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol (CID 10468741) is 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol.
What is the SMILES notation for 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol?
The canonical SMILES for 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol is CCc1c(-c2ccc(O)cc2)c2ccc3cc(O)cc1n32.
What is the InChIKey of 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol?
The InChIKey is RHDBRQBCMWHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3.
What are the key properties of 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol?
2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol has a molecular weight of 277.32 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-hydroxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-9-ol is sourced from PubChem (CID 10468741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).