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

C24H25NO3 — CID 166628795

IUPAC(4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1cccc(-c2cccc(COc3ccc4c(c3)[C@@H](O)CN(C)C4)c2)c1
InChIInChI=1S/C24H25NO3/c1-25-14-20-9-10-22(13-23(20)24(26)15-25)28-16-17-5-3-6-18(11-17)19-7-4-8-21(12-19)27-2/h3-13,24,26H,14-16H2,1-2H3/t24-/m0/s1
InChIKeyVNQDLXANJZODBS-DEOSSOPVSA-N
MW375.47 g/mol
LogP4.42
Rot. Bonds5

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

(4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166628795) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166628795
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1cccc(-c2cccc(COc3ccc4c(c3)[C@@H](O)CN(C)C4)c2)c1
InChIInChI=1S/C24H25NO3/c1-25-14-20-9-10-22(13-23(20)24(26)15-25)28-16-17-5-3-6-18(11-17)19-7-4-8-21(12-19)27-2/h3-13,24,26H,14-16H2,1-2H3/t24-/m0/s1
InChIKeyVNQDLXANJZODBS-DEOSSOPVSA-N
XLogP4.42
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 166628795) is (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is COc1cccc(-c2cccc(COc3ccc4c(c3)[C@@H](O)CN(C)C4)c2)c1.
What is the InChIKey of (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is VNQDLXANJZODBS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25NO3/c1-25-14-20-9-10-22(13-23(20)24(26)15-25)28-16-17-5-3-6-18(11-17)19-7-4-8-21(12-19)27-2/h3-13,24,26H,14-16H2,1-2H3/t24-/m0/s1.
What are the key properties of (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 375.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[[3-(3-methoxyphenyl)phenyl]methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166628795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).