3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol

C15H13ClINO2 — CID 141045951

IUPAC3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol
SMILESCOc1ccc(Cl)cc1C1(O)CNc2cc(I)ccc21
InChIInChI=1S/C15H13ClINO2/c1-20-14-5-2-9(16)6-12(14)15(19)8-18-13-7-10(17)3-4-11(13)15/h2-7,18-19H,8H2,1H3
InChIKeyRFCYJJASVUFYKB-UHFFFAOYSA-N
MW401.63 g/mol
LogP3.61
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol

3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol (PubChem CID 141045951) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol
PubChem CID141045951
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol
SMILESCOc1ccc(Cl)cc1C1(O)CNc2cc(I)ccc21
InChIInChI=1S/C15H13ClINO2/c1-20-14-5-2-9(16)6-12(14)15(19)8-18-13-7-10(17)3-4-11(13)15/h2-7,18-19H,8H2,1H3
InChIKeyRFCYJJASVUFYKB-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 140974859
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
CID 10294489
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 116842455
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776
3-(5-chloro-2-methoxyphenyl)-6-iodo-1H-benzimidazole-2-thione
CID 66065303
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol (CID 141045951) is 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol is COc1ccc(Cl)cc1C1(O)CNc2cc(I)ccc21.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol?
The InChIKey is RFCYJJASVUFYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-20-14-5-2-9(16)6-12(14)15(19)8-18-13-7-10(17)3-4-11(13)15/h2-7,18-19H,8H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol?
3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol has a molecular weight of 401.63 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol is sourced from PubChem (CID 141045951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).