(4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol

C23H23NO2 — CID 166626346

IUPAC(4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1Cc2ccc(O)cc2[C@@H](OCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H23NO2/c1-24-14-20-11-12-21(25)13-22(20)23(15-24)26-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,23,25H,14-16H2,1H3/t23-/m0/s1
InChIKeyIEXZSSLSJPYESU-QHCPKHFHSA-N
MW345.44 g/mol
LogP4.76
Rot. Bonds4

About (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol

(4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 166626346) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name(4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID166626346
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1Cc2ccc(O)cc2[C@@H](OCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H23NO2/c1-24-14-20-11-12-21(25)13-22(20)23(15-24)26-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,23,25H,14-16H2,1H3/t23-/m0/s1
InChIKeyIEXZSSLSJPYESU-QHCPKHFHSA-N
XLogP4.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol (CID 166626346) is (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol is CN1Cc2ccc(O)cc2[C@@H](OCc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is IEXZSSLSJPYESU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23NO2/c1-24-14-20-11-12-21(25)13-22(20)23(15-24)26-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,23,25H,14-16H2,1H3/t23-/m0/s1.
What are the key properties of (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol?
(4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 345.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 166626346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).