1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol

C15H14INO — CID 43637127

IUPAC1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(I)cc1
InChIInChI=1S/C15H14INO/c16-10-4-6-11(7-5-10)17-14-9-8-13-12(14)2-1-3-15(13)18/h1-7,14,17-18H,8-9H2
InChIKeyAFYKCFDTJMUFDN-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.10
Rot. Bonds2

About 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol

1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637127) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43637127
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(I)cc1
InChIInChI=1S/C15H14INO/c16-10-4-6-11(7-5-10)17-14-9-8-13-12(14)2-1-3-15(13)18/h1-7,14,17-18H,8-9H2
InChIKeyAFYKCFDTJMUFDN-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol (CID 43637127) is 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is AFYKCFDTJMUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c16-10-4-6-11(7-5-10)17-14-9-8-13-12(14)2-1-3-15(13)18/h1-7,14,17-18H,8-9H2.
What are the key properties of 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol?
1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 351.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).