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

C17H18BrNO2 — CID 166630375

IUPAC(4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3cccc(Br)c3)cc2[C@@H](O)C1
InChIInChI=1S/C17H18BrNO2/c1-19-9-13-5-6-15(8-16(13)17(20)10-19)21-11-12-3-2-4-14(18)7-12/h2-8,17,20H,9-11H2,1H3/t17-/m0/s1
InChIKeyFEUXPFWAVLVRDD-KRWDZBQOSA-N
MW348.24 g/mol
LogP3.51
Rot. Bonds3

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

(4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166630375) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166630375
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3cccc(Br)c3)cc2[C@@H](O)C1
InChIInChI=1S/C17H18BrNO2/c1-19-9-13-5-6-15(8-16(13)17(20)10-19)21-11-12-3-2-4-14(18)7-12/h2-8,17,20H,9-11H2,1H3/t17-/m0/s1
InChIKeyFEUXPFWAVLVRDD-KRWDZBQOSA-N
XLogP3.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 166630375) is (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCc3cccc(Br)c3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is FEUXPFWAVLVRDD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-19-9-13-5-6-15(8-16(13)17(20)10-19)21-11-12-3-2-4-14(18)7-12/h2-8,17,20H,9-11H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 348.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166630375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).