(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone

C13H8ClIO2 — CID 19043713

IUPAC(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H8ClIO2/c14-11-7-9(3-6-12(11)16)13(17)8-1-4-10(15)5-2-8/h1-7,16H
InChIKeyYMWZPILIIDOYGY-UHFFFAOYSA-N
MW358.56 g/mol
LogP3.88
Rot. Bonds2

About (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone

(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone (PubChem CID 19043713) has the molecular formula C13H8ClIO2 and a molecular weight of 358.56 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone
PubChem CID19043713
Molecular FormulaC13H8ClIO2
Molecular Weight358.56 g/mol
Exact Mass357.93
IUPAC Name(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H8ClIO2/c14-11-7-9(3-6-12(11)16)13(17)8-1-4-10(15)5-2-8/h1-7,16H
InChIKeyYMWZPILIIDOYGY-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.56
LogP ≤ 53.88
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 (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone (CID 19043713) is (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone?
The InChIKey is YMWZPILIIDOYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIO2/c14-11-7-9(3-6-12(11)16)13(17)8-1-4-10(15)5-2-8/h1-7,16H.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone?
(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone has a molecular weight of 358.56 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone is sourced from PubChem (CID 19043713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).