3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one

C18H12INO3 — CID 101433323

IUPAC3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1(O)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H12INO3/c19-11-6-7-14-13(9-11)18(23,17(22)20-14)16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21,23H,(H,20,22)
InChIKeyYZVBIICLHZTEPQ-UHFFFAOYSA-N
MW417.20 g/mol
LogP3.34
Rot. Bonds1

About 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one

3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one (PubChem CID 101433323) has the molecular formula C18H12INO3 and a molecular weight of 417.20 g/mol. Its IUPAC name is 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one
PubChem CID101433323
Molecular FormulaC18H12INO3
Molecular Weight417.20 g/mol
Exact Mass416.99
IUPAC Name3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1(O)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H12INO3/c19-11-6-7-14-13(9-11)18(23,17(22)20-14)16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21,23H,(H,20,22)
InChIKeyYZVBIICLHZTEPQ-UHFFFAOYSA-N
XLogP3.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.20
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-1H-indol-2-one
CID 101433320
2-(2-hydroxynaphthalen-1-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 4083670
(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one
CID 7689726
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
CID 10294489
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
CID 118710079
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
CID 71339065
3-(2,6-difluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83036180
1-iodonaphthalen-2-ol
CID 16250
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
1-(2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117328645

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one (CID 101433323) is 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one is O=C1Nc2ccc(I)cc2C1(O)c1c(O)ccc2ccccc12.
What is the InChIKey of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one?
The InChIKey is YZVBIICLHZTEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12INO3/c19-11-6-7-14-13(9-11)18(23,17(22)20-14)16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21,23H,(H,20,22).
What are the key properties of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one?
3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one has a molecular weight of 417.20 g/mol, XLogP of 3.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one is sourced from PubChem (CID 101433323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).