3-iodo-7-phenylmethoxy-2H-indazole

C14H11IN2O — CID 46835458

IUPAC3-iodo-7-phenylmethoxy-2H-indazole
SMILESIc1[nH]nc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C14H11IN2O/c15-14-11-7-4-8-12(13(11)16-17-14)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChIKeyVQZURTFNQVMZSJ-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.75
Rot. Bonds3

About 3-iodo-7-phenylmethoxy-2H-indazole

3-iodo-7-phenylmethoxy-2H-indazole (PubChem CID 46835458) has the molecular formula C14H11IN2O and a molecular weight of 350.16 g/mol. Its IUPAC name is 3-iodo-7-phenylmethoxy-2H-indazole.

Molecular Properties

Compound Name3-iodo-7-phenylmethoxy-2H-indazole
PubChem CID46835458
Molecular FormulaC14H11IN2O
Molecular Weight350.16 g/mol
Exact Mass349.99
IUPAC Name3-iodo-7-phenylmethoxy-2H-indazole
SMILESIc1[nH]nc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C14H11IN2O/c15-14-11-7-4-8-12(13(11)16-17-14)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChIKeyVQZURTFNQVMZSJ-UHFFFAOYSA-N
XLogP3.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.75
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

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CID 14954067
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CID 171373765
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
CID 13162241
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
1-iodo-3-phenylmethoxy-2-propoxybenzene
CID 70139895
3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid
CID 177042268
5-phenyl-8-phenylmethoxyquinoline
CID 11809105
2-bromo-8-phenylmethoxyquinoxaline
CID 133061974
4-chloro-3-iodo-5-phenylmethoxypyridine
CID 23642584
4-phenylmethoxyquinoline
CID 11299312

Frequently Asked Questions

What is the IUPAC name of 3-iodo-7-phenylmethoxy-2H-indazole?
The IUPAC name of 3-iodo-7-phenylmethoxy-2H-indazole (CID 46835458) is 3-iodo-7-phenylmethoxy-2H-indazole.
What is the SMILES notation for 3-iodo-7-phenylmethoxy-2H-indazole?
The canonical SMILES for 3-iodo-7-phenylmethoxy-2H-indazole is Ic1[nH]nc2c(OCc3ccccc3)cccc12.
What is the InChIKey of 3-iodo-7-phenylmethoxy-2H-indazole?
The InChIKey is VQZURTFNQVMZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O/c15-14-11-7-4-8-12(13(11)16-17-14)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of 3-iodo-7-phenylmethoxy-2H-indazole?
3-iodo-7-phenylmethoxy-2H-indazole has a molecular weight of 350.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-7-phenylmethoxy-2H-indazole is sourced from PubChem (CID 46835458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).