(3-iodophenyl) dihydrogen phosphite

C6H6IO3P — CID 174648122

IUPAC(3-iodophenyl) dihydrogen phosphite
SMILESOP(O)Oc1cccc(I)c1
InChIInChI=1S/C6H6IO3P/c7-5-2-1-3-6(4-5)10-11(8)9/h1-4,8-9H
InChIKeyDBDXFFKLFMEMGG-UHFFFAOYSA-N
MW283.99 g/mol
LogP1.88
Rot. Bonds2

About (3-iodophenyl) dihydrogen phosphite

(3-iodophenyl) dihydrogen phosphite (PubChem CID 174648122) has the molecular formula C6H6IO3P and a molecular weight of 283.99 g/mol. Its IUPAC name is (3-iodophenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(3-iodophenyl) dihydrogen phosphite
PubChem CID174648122
Molecular FormulaC6H6IO3P
Molecular Weight283.99 g/mol
Exact Mass283.91
IUPAC Name(3-iodophenyl) dihydrogen phosphite
SMILESOP(O)Oc1cccc(I)c1
InChIInChI=1S/C6H6IO3P/c7-5-2-1-3-6(4-5)10-11(8)9/h1-4,8-9H
InChIKeyDBDXFFKLFMEMGG-UHFFFAOYSA-N
XLogP1.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.99
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
(3-iodophenyl) carbonochloridate
CID 24749160
1,3,5-triiodo-2-(3-iodophenoxy)benzene
CID 154130113
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
(3-iodophenyl) (2R)-2-hydroxypropanoate
CID 130670103
2-(3-iodophenoxy)acetaldehyde
CID 54101837
CID 158859249
CID 158859249
trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
CID 102732469
4-(3-iodophenoxy)butan-2-one
CID 62031790
(3-iodophenyl) butanoate
CID 613173
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl) dihydrogen phosphite?
The IUPAC name of (3-iodophenyl) dihydrogen phosphite (CID 174648122) is (3-iodophenyl) dihydrogen phosphite.
What is the SMILES notation for (3-iodophenyl) dihydrogen phosphite?
The canonical SMILES for (3-iodophenyl) dihydrogen phosphite is OP(O)Oc1cccc(I)c1.
What is the InChIKey of (3-iodophenyl) dihydrogen phosphite?
The InChIKey is DBDXFFKLFMEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IO3P/c7-5-2-1-3-6(4-5)10-11(8)9/h1-4,8-9H.
What are the key properties of (3-iodophenyl) dihydrogen phosphite?
(3-iodophenyl) dihydrogen phosphite has a molecular weight of 283.99 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl) dihydrogen phosphite is sourced from PubChem (CID 174648122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).