(2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate

C10H5Cl2IO3 — CID 23469302

IUPAC(2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
SMILESO=C(OCC#CI)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C10H5Cl2IO3/c11-7-3-1-4-8(12)9(7)16-10(14)15-6-2-5-13/h1,3-4H,6H2
InChIKeyUQBAUZIPAIFDLH-UHFFFAOYSA-N
MW370.96 g/mol
LogP3.90
Rot. Bonds2

About (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate

(2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate (PubChem CID 23469302) has the molecular formula C10H5Cl2IO3 and a molecular weight of 370.96 g/mol. Its IUPAC name is (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate.

Molecular Properties

Compound Name(2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
PubChem CID23469302
Molecular FormulaC10H5Cl2IO3
Molecular Weight370.96 g/mol
Exact Mass369.87
IUPAC Name(2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
SMILESO=C(OCC#CI)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C10H5Cl2IO3/c11-7-3-1-4-8(12)9(7)16-10(14)15-6-2-5-13/h1,3-4H,6H2
InChIKeyUQBAUZIPAIFDLH-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 (2,6-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

(2,4-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
CID 23469297
3-iodoprop-2-ynyl 2-chlorobenzoate
CID 54287715
3-iodoprop-2-ynyl 2-(2,3,6-trichlorophenyl)acetate
CID 54557816
bis(2,6-dichlorophenyl) heptanedioate
CID 91712714
(2,6-dichlorophenyl) 3-cyanopropanoate
CID 82117975
benzyl (2,4,6-trichlorophenyl) carbonate
CID 165347479
(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
CID 86847227
1-O-(2-chloro-6-fluorophenyl) 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91692765
3-iodoprop-2-ynyl 2-(4-iodophenyl)acetate
CID 54009944
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
(2-amino-6-chlorophenyl) prop-2-enoate
CID 135356842
6-(2,4,6-trifluorophenoxy)carbonyloxyhexa-2,4-diynyl (2,4,6-trifluorophenyl) carbonate
CID 139196940

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
The IUPAC name of (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate (CID 23469302) is (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate.
What is the SMILES notation for (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
The canonical SMILES for (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate is O=C(OCC#CI)Oc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
The InChIKey is UQBAUZIPAIFDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2IO3/c11-7-3-1-4-8(12)9(7)16-10(14)15-6-2-5-13/h1,3-4H,6H2.
What are the key properties of (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate?
(2,6-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 (2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate is sourced from PubChem (CID 23469302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).