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

C29H27NO2 — CID 166635197

IUPAC(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C29H27NO2/c1-30-18-26-15-16-27(17-28(26)29(31)19-30)32-20-21-7-9-23(10-8-21)25-13-11-24(12-14-25)22-5-3-2-4-6-22/h2-17,29,31H,18-20H2,1H3/t29-/m0/s1
InChIKeyPXPXALVPIDVZGB-LJAQVGFWSA-N
MW421.54 g/mol
LogP6.08
Rot. Bonds5

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

(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166635197) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166635197
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C29H27NO2/c1-30-18-26-15-16-27(17-28(26)29(31)19-30)32-20-21-7-9-23(10-8-21)25-13-11-24(12-14-25)22-5-3-2-4-6-22/h2-17,29,31H,18-20H2,1H3/t29-/m0/s1
InChIKeyPXPXALVPIDVZGB-LJAQVGFWSA-N
XLogP6.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.08
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-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (CID 166635197) is (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is PXPXALVPIDVZGB-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H27NO2/c1-30-18-26-15-16-27(17-28(26)29(31)19-30)32-20-21-7-9-23(10-8-21)25-13-11-24(12-14-25)22-5-3-2-4-6-22/h2-17,29,31H,18-20H2,1H3/t29-/m0/s1.
What are the key properties of (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 421.54 g/mol, XLogP of 6.08, 5 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-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166635197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).