1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol

C13H12ClIO2 — CID 107607605

IUPAC1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2ccc(I)cc2Cl)o1
InChIInChI=1S/C13H12ClIO2/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(15)7-12(11)14/h2-5,7-8,16H,6H2,1H3
InChIKeyIYSUXXQFQJGLSI-UHFFFAOYSA-N
MW362.59 g/mol
LogP4.13
Rot. Bonds3

About 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol

1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol (PubChem CID 107607605) has the molecular formula C13H12ClIO2 and a molecular weight of 362.59 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
PubChem CID107607605
Molecular FormulaC13H12ClIO2
Molecular Weight362.59 g/mol
Exact Mass361.96
IUPAC Name1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2ccc(I)cc2Cl)o1
InChIInChI=1S/C13H12ClIO2/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(15)7-12(11)14/h2-5,7-8,16H,6H2,1H3
InChIKeyIYSUXXQFQJGLSI-UHFFFAOYSA-N
XLogP4.13
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
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-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol?
The IUPAC name of 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol (CID 107607605) is 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol is CC(O)Cc1ccc(-c2ccc(I)cc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol?
The InChIKey is IYSUXXQFQJGLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIO2/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(15)7-12(11)14/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol?
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol has a molecular weight of 362.59 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol is sourced from PubChem (CID 107607605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).