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

C23H23NO3 — CID 166628005

IUPAC(4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C23H23NO3/c1-24-14-18-9-12-21(13-22(18)23(25)15-24)26-16-17-7-10-20(11-8-17)27-19-5-3-2-4-6-19/h2-13,23,25H,14-16H2,1H3/t23-/m0/s1
InChIKeyXCPIPQPKFJTLKY-QHCPKHFHSA-N
MW361.44 g/mol
LogP4.54
Rot. Bonds5

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

(4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166628005) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166628005
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C23H23NO3/c1-24-14-18-9-12-21(13-22(18)23(25)15-24)26-16-17-7-10-20(11-8-17)27-19-5-3-2-4-6-19/h2-13,23,25H,14-16H2,1H3/t23-/m0/s1
InChIKeyXCPIPQPKFJTLKY-QHCPKHFHSA-N
XLogP4.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (CID 166628005) is (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is XCPIPQPKFJTLKY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23NO3/c1-24-14-18-9-12-21(13-22(18)23(25)15-24)26-16-17-7-10-20(11-8-17)27-19-5-3-2-4-6-19/h2-13,23,25H,14-16H2,1H3/t23-/m0/s1.
What are the key properties of (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 361.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-6-[(4-phenoxyphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166628005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).