4-(chloro-hydroxy-iodomethyl)benzoyl chloride

C8H5Cl2IO2 — CID 89425397

IUPAC4-(chloro-hydroxy-iodomethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(O)(Cl)I)cc1
InChIInChI=1S/C8H5Cl2IO2/c9-7(12)5-1-3-6(4-2-5)8(10,11)13/h1-4,13H
InChIKeyVRQKXIKWNTXNCX-UHFFFAOYSA-N
MW330.94 g/mol
LogP2.84
Rot. Bonds2

About 4-(chloro-hydroxy-iodomethyl)benzoyl chloride

4-(chloro-hydroxy-iodomethyl)benzoyl chloride (PubChem CID 89425397) has the molecular formula C8H5Cl2IO2 and a molecular weight of 330.94 g/mol. Its IUPAC name is 4-(chloro-hydroxy-iodomethyl)benzoyl chloride.

Molecular Properties

Compound Name4-(chloro-hydroxy-iodomethyl)benzoyl chloride
PubChem CID89425397
Molecular FormulaC8H5Cl2IO2
Molecular Weight330.94 g/mol
Exact Mass329.87
IUPAC Name4-(chloro-hydroxy-iodomethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(O)(Cl)I)cc1
InChIInChI=1S/C8H5Cl2IO2/c9-7(12)5-1-3-6(4-2-5)8(10,11)13/h1-4,13H
InChIKeyVRQKXIKWNTXNCX-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromopropan-2-yl)benzoyl chloride
CID 141133726
4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
CID 139675989
benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 86756476
4-methylbenzoyl chloride
CID 13405
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
CID 11070855
CID 11070855
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
CID 102443939
benzoic acid;benzoyl chloride
CID 87427055
3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
benzoyl chloride;selane
CID 174449470
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551

Frequently Asked Questions

What is the IUPAC name of 4-(chloro-hydroxy-iodomethyl)benzoyl chloride?
The IUPAC name of 4-(chloro-hydroxy-iodomethyl)benzoyl chloride (CID 89425397) is 4-(chloro-hydroxy-iodomethyl)benzoyl chloride.
What is the SMILES notation for 4-(chloro-hydroxy-iodomethyl)benzoyl chloride?
The canonical SMILES for 4-(chloro-hydroxy-iodomethyl)benzoyl chloride is O=C(Cl)c1ccc(C(O)(Cl)I)cc1.
What is the InChIKey of 4-(chloro-hydroxy-iodomethyl)benzoyl chloride?
The InChIKey is VRQKXIKWNTXNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2IO2/c9-7(12)5-1-3-6(4-2-5)8(10,11)13/h1-4,13H.
What are the key properties of 4-(chloro-hydroxy-iodomethyl)benzoyl chloride?
4-(chloro-hydroxy-iodomethyl)benzoyl chloride has a molecular weight of 330.94 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloro-hydroxy-iodomethyl)benzoyl chloride is sourced from PubChem (CID 89425397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).