ethyl [4-(2-iodoacetyl)phenyl] carbonate

C11H11IO4 — CID 89348035

IUPACethyl [4-(2-iodoacetyl)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)CI)cc1
InChIInChI=1S/C11H11IO4/c1-2-15-11(14)16-9-5-3-8(4-6-9)10(13)7-12/h3-6H,2,7H2,1H3
InChIKeyIHLZANVAKPCREP-UHFFFAOYSA-N
MW334.11 g/mol
LogP2.84
Rot. Bonds4

About ethyl [4-(2-iodoacetyl)phenyl] carbonate

ethyl [4-(2-iodoacetyl)phenyl] carbonate (PubChem CID 89348035) has the molecular formula C11H11IO4 and a molecular weight of 334.11 g/mol. Its IUPAC name is ethyl [4-(2-iodoacetyl)phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-(2-iodoacetyl)phenyl] carbonate
PubChem CID89348035
Molecular FormulaC11H11IO4
Molecular Weight334.11 g/mol
Exact Mass333.97
IUPAC Nameethyl [4-(2-iodoacetyl)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)CI)cc1
InChIInChI=1S/C11H11IO4/c1-2-15-11(14)16-9-5-3-8(4-6-9)10(13)7-12/h3-6H,2,7H2,1H3
InChIKeyIHLZANVAKPCREP-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108570522
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
(4-nitrophenyl) 4-ethoxycarbonyloxybenzoate
CID 139788596
[4-[4-(4-bromobenzoyl)-1,4-diazepane-1-carbonyl]phenyl] ethyl carbonate
CID 108929646
ethyl (4-pentylphenyl) carbonate
CID 118690159
ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
CID 23213034
ethyl [4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533354
ethyl [4-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533352
(4-cyclopentylphenyl) ethyl carbonate
CID 152547473

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(2-iodoacetyl)phenyl] carbonate?
The IUPAC name of ethyl [4-(2-iodoacetyl)phenyl] carbonate (CID 89348035) is ethyl [4-(2-iodoacetyl)phenyl] carbonate.
What is the SMILES notation for ethyl [4-(2-iodoacetyl)phenyl] carbonate?
The canonical SMILES for ethyl [4-(2-iodoacetyl)phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)CI)cc1.
What is the InChIKey of ethyl [4-(2-iodoacetyl)phenyl] carbonate?
The InChIKey is IHLZANVAKPCREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO4/c1-2-15-11(14)16-9-5-3-8(4-6-9)10(13)7-12/h3-6H,2,7H2,1H3.
What are the key properties of ethyl [4-(2-iodoacetyl)phenyl] carbonate?
ethyl [4-(2-iodoacetyl)phenyl] carbonate has a molecular weight of 334.11 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(2-iodoacetyl)phenyl] carbonate is sourced from PubChem (CID 89348035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).