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

C27H25NO2 — CID 166628434

IUPAC(4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(-c4ccc5ccccc5c4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C27H25NO2/c1-28-16-24-12-13-25(15-26(24)27(29)17-28)30-18-19-6-8-21(9-7-19)23-11-10-20-4-2-3-5-22(20)14-23/h2-15,27,29H,16-18H2,1H3/t27-/m0/s1
InChIKeyUVFITIBZMAOYBT-MHZLTWQESA-N
MW395.50 g/mol
LogP5.56
Rot. Bonds4

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

(4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166628434) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166628434
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name(4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(-c4ccc5ccccc5c4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C27H25NO2/c1-28-16-24-12-13-25(15-26(24)27(29)17-28)30-18-19-6-8-21(9-7-19)23-11-10-20-4-2-3-5-22(20)14-23/h2-15,27,29H,16-18H2,1H3/t27-/m0/s1
InChIKeyUVFITIBZMAOYBT-MHZLTWQESA-N
XLogP5.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (CID 166628434) is (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCc3ccc(-c4ccc5ccccc5c4)cc3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is UVFITIBZMAOYBT-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25NO2/c1-28-16-24-12-13-25(15-26(24)27(29)17-28)30-18-19-6-8-21(9-7-19)23-11-10-20-4-2-3-5-22(20)14-23/h2-15,27,29H,16-18H2,1H3/t27-/m0/s1.
What are the key properties of (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 395.50 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166628434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).