5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol

C16H15ClINO — CID 107632388

IUPAC5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2Nc1ccc(Cl)cc1I
InChIInChI=1S/C16H15ClINO/c17-11-4-7-16(14(18)9-11)19-15-3-1-2-10-8-12(20)5-6-13(10)15/h4-9,15,19-20H,1-3H2
InChIKeyMUEYPOKLSJROGU-UHFFFAOYSA-N
MW399.66 g/mol
LogP5.14
Rot. Bonds2

About 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol

5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 107632388) has the molecular formula C16H15ClINO and a molecular weight of 399.66 g/mol. Its IUPAC name is 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID107632388
Molecular FormulaC16H15ClINO
Molecular Weight399.66 g/mol
Exact Mass398.99
IUPAC Name5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2Nc1ccc(Cl)cc1I
InChIInChI=1S/C16H15ClINO/c17-11-4-7-16(14(18)9-11)19-15-3-1-2-10-8-12(20)5-6-13(10)15/h4-9,15,19-20H,1-3H2
InChIKeyMUEYPOKLSJROGU-UHFFFAOYSA-N
XLogP5.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 55.14
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 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 107632388) is 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCCC2Nc1ccc(Cl)cc1I.
What is the InChIKey of 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is MUEYPOKLSJROGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO/c17-11-4-7-16(14(18)9-11)19-15-3-1-2-10-8-12(20)5-6-13(10)15/h4-9,15,19-20H,1-3H2.
What are the key properties of 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 399.66 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 107632388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).