(2-iodophenyl)-isoquinolin-5-ylmethanol

C16H12INO — CID 115794969

IUPAC(2-iodophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccccc1I)c1cccc2cnccc12
InChIInChI=1S/C16H12INO/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H
InChIKeyDKTKNCCCGAYXIP-UHFFFAOYSA-N
MW361.18 g/mol
LogP3.92
Rot. Bonds2

About (2-iodophenyl)-isoquinolin-5-ylmethanol

(2-iodophenyl)-isoquinolin-5-ylmethanol (PubChem CID 115794969) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is (2-iodophenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2-iodophenyl)-isoquinolin-5-ylmethanol
PubChem CID115794969
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name(2-iodophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccccc1I)c1cccc2cnccc12
InChIInChI=1S/C16H12INO/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H
InChIKeyDKTKNCCCGAYXIP-UHFFFAOYSA-N
XLogP3.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 83092262

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2-iodophenyl)-isoquinolin-5-ylmethanol (CID 115794969) is (2-iodophenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2-iodophenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2-iodophenyl)-isoquinolin-5-ylmethanol is OC(c1ccccc1I)c1cccc2cnccc12.
What is the InChIKey of (2-iodophenyl)-isoquinolin-5-ylmethanol?
The InChIKey is DKTKNCCCGAYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H.
What are the key properties of (2-iodophenyl)-isoquinolin-5-ylmethanol?
(2-iodophenyl)-isoquinolin-5-ylmethanol has a molecular weight of 361.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 115794969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).