(4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

C10H12INO — CID 97455914

IUPAC(4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2cccc(I)c2[C@@H](O)C1
InChIInChI=1S/C10H12INO/c1-12-5-7-3-2-4-8(11)10(7)9(13)6-12/h2-4,9,13H,5-6H2,1H3/t9-/m0/s1
InChIKeyBXMJYXBROALGEP-VIFPVBQESA-N
MW289.12 g/mol
LogP1.77
Rot. Bonds

About (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 97455914) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID97455914
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name(4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2cccc(I)c2[C@@H](O)C1
InChIInChI=1S/C10H12INO/c1-12-5-7-3-2-4-8(11)10(7)9(13)6-12/h2-4,9,13H,5-6H2,1H3/t9-/m0/s1
InChIKeyBXMJYXBROALGEP-VIFPVBQESA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 122504635
2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 138554110
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 71450608
methyl 2,5-dimethyl-3,4-dihydro-1H-isoquinoline-4-carboxylate
CID 82585279
(1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 10446286
(4S)-4-(4-fluorophenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497428
8-amino-5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 82380521
(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 166626926
4-hydroxy-1-methylpyrrolidin-3-one
CID 58116879
6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
CID 15849943

Frequently Asked Questions

What is the IUPAC name of (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 97455914) is (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2cccc(I)c2[C@@H](O)C1.
What is the InChIKey of (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is BXMJYXBROALGEP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12INO/c1-12-5-7-3-2-4-8(11)10(7)9(13)6-12/h2-4,9,13H,5-6H2,1H3/t9-/m0/s1.
What are the key properties of (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 289.12 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 97455914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).