prop-2-enyl 2-(4-iodophenyl)acetate

C11H11IO2 — CID 175438229

IUPACprop-2-enyl 2-(4-iodophenyl)acetate
SMILESC=CCOC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C11H11IO2/c1-2-7-14-11(13)8-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2
InChIKeySCIVVYCVHGHPTP-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.56
Rot. Bonds4

About prop-2-enyl 2-(4-iodophenyl)acetate

prop-2-enyl 2-(4-iodophenyl)acetate (PubChem CID 175438229) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is prop-2-enyl 2-(4-iodophenyl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(4-iodophenyl)acetate
PubChem CID175438229
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Nameprop-2-enyl 2-(4-iodophenyl)acetate
SMILESC=CCOC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C11H11IO2/c1-2-7-14-11(13)8-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2
InChIKeySCIVVYCVHGHPTP-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate
CID 175438226
6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
CID 132581734
3-iodoprop-2-ynyl 2-(4-iodophenyl)acetate
CID 54009944
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350
prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
CID 67659535
prop-2-enyl 2-(4-isocyanatosulfonylphenyl)acetate
CID 22347435
prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate
CID 67854972
methyl 2-[4-(prop-2-enoxycarbonylamino)phenyl]acetate
CID 167022304
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(4-iodophenyl)acetate?
The IUPAC name of prop-2-enyl 2-(4-iodophenyl)acetate (CID 175438229) is prop-2-enyl 2-(4-iodophenyl)acetate.
What is the SMILES notation for prop-2-enyl 2-(4-iodophenyl)acetate?
The canonical SMILES for prop-2-enyl 2-(4-iodophenyl)acetate is C=CCOC(=O)Cc1ccc(I)cc1.
What is the InChIKey of prop-2-enyl 2-(4-iodophenyl)acetate?
The InChIKey is SCIVVYCVHGHPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c1-2-7-14-11(13)8-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2.
What are the key properties of prop-2-enyl 2-(4-iodophenyl)acetate?
prop-2-enyl 2-(4-iodophenyl)acetate has a molecular weight of 302.11 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(4-iodophenyl)acetate is sourced from PubChem (CID 175438229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).