1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol

C23H23NO2 — CID 69470627

IUPAC1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCCc1ccc(C2c3ccc(O)cc3CCN2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H23NO2/c1-2-16-3-5-17(6-4-16)23-22-12-11-21(26)15-18(22)13-14-24(23)19-7-9-20(25)10-8-19/h3-12,15,23,25-26H,2,13-14H2,1H3
InChIKeyJNVQXEXVEKBJEP-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.81
Rot. Bonds3

About 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol

1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 69470627) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID69470627
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCCc1ccc(C2c3ccc(O)cc3CCN2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H23NO2/c1-2-16-3-5-17(6-4-16)23-22-12-11-21(26)15-18(22)13-14-24(23)19-7-9-20(25)10-8-19/h3-12,15,23,25-26H,2,13-14H2,1H3
InChIKeyJNVQXEXVEKBJEP-UHFFFAOYSA-N
XLogP4.81
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol (CID 69470627) is 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol is CCc1ccc(C2c3ccc(O)cc3CCN2c2ccc(O)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is JNVQXEXVEKBJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-16-3-5-17(6-4-16)23-22-12-11-21(26)15-18(22)13-14-24(23)19-7-9-20(25)10-8-19/h3-12,15,23,25-26H,2,13-14H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol?
1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 345.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 69470627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).