2-chloro-6-iodo-3-propylchromen-4-one

C12H10ClIO2 — CID 23064263

IUPAC2-chloro-6-iodo-3-propylchromen-4-one
SMILESCCCc1c(Cl)oc2ccc(I)cc2c1=O
InChIInChI=1S/C12H10ClIO2/c1-2-3-8-11(15)9-6-7(14)4-5-10(9)16-12(8)13/h4-6H,2-3H2,1H3
InChIKeyXHEASOUMOUZWQQ-UHFFFAOYSA-N
MW348.57 g/mol
LogP4.00
Rot. Bonds2

About 2-chloro-6-iodo-3-propylchromen-4-one

2-chloro-6-iodo-3-propylchromen-4-one (PubChem CID 23064263) has the molecular formula C12H10ClIO2 and a molecular weight of 348.57 g/mol. Its IUPAC name is 2-chloro-6-iodo-3-propylchromen-4-one.

Molecular Properties

Compound Name2-chloro-6-iodo-3-propylchromen-4-one
PubChem CID23064263
Molecular FormulaC12H10ClIO2
Molecular Weight348.57 g/mol
Exact Mass347.94
IUPAC Name2-chloro-6-iodo-3-propylchromen-4-one
SMILESCCCc1c(Cl)oc2ccc(I)cc2c1=O
InChIInChI=1S/C12H10ClIO2/c1-2-3-8-11(15)9-6-7(14)4-5-10(9)16-12(8)13/h4-6H,2-3H2,1H3
InChIKeyXHEASOUMOUZWQQ-UHFFFAOYSA-N
XLogP4.00
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 54.00
H-Bond Donors ≤ 50
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 2-chloro-6-iodo-3-propylchromen-4-one?
The IUPAC name of 2-chloro-6-iodo-3-propylchromen-4-one (CID 23064263) is 2-chloro-6-iodo-3-propylchromen-4-one.
What is the SMILES notation for 2-chloro-6-iodo-3-propylchromen-4-one?
The canonical SMILES for 2-chloro-6-iodo-3-propylchromen-4-one is CCCc1c(Cl)oc2ccc(I)cc2c1=O.
What is the InChIKey of 2-chloro-6-iodo-3-propylchromen-4-one?
The InChIKey is XHEASOUMOUZWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIO2/c1-2-3-8-11(15)9-6-7(14)4-5-10(9)16-12(8)13/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-6-iodo-3-propylchromen-4-one?
2-chloro-6-iodo-3-propylchromen-4-one has a molecular weight of 348.57 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-iodo-3-propylchromen-4-one is sourced from PubChem (CID 23064263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).