(2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate

C10H5Cl2IO3 — CID 23469297

IUPAC(2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
SMILESO=C(OCC#CI)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H5Cl2IO3/c11-7-2-3-9(8(12)6-7)16-10(14)15-5-1-4-13/h2-3,6H,5H2
InChIKeyUCYKFSHDTDCLHA-UHFFFAOYSA-N
MW370.96 g/mol
LogP3.90
Rot. Bonds2

About (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate

(2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate (PubChem CID 23469297) has the molecular formula C10H5Cl2IO3 and a molecular weight of 370.96 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
PubChem CID23469297
Molecular FormulaC10H5Cl2IO3
Molecular Weight370.96 g/mol
Exact Mass369.87
IUPAC Name(2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
SMILESO=C(OCC#CI)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H5Cl2IO3/c11-7-2-3-9(8(12)6-7)16-10(14)15-5-1-4-13/h2-3,6H,5H2
InChIKeyUCYKFSHDTDCLHA-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.96
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
CID 91694190
(2,4-dichlorophenyl) pent-3-enoate
CID 174799390
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169441114
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid
CID 11947687

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
The IUPAC name of (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate (CID 23469297) is (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate.
What is the SMILES notation for (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
The canonical SMILES for (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate is O=C(OCC#CI)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
The InChIKey is UCYKFSHDTDCLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2IO3/c11-7-2-3-9(8(12)6-7)16-10(14)15-5-1-4-13/h2-3,6H,5H2.
What are the key properties of (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
(2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate has a molecular weight of 370.96 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate is sourced from PubChem (CID 23469297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).