ethyl 2-(2-iodophenyl)prop-2-enoate

C11H11IO2 — CID 131700037

IUPACethyl 2-(2-iodophenyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1ccccc1I
InChIInChI=1S/C11H11IO2/c1-3-14-11(13)8(2)9-6-4-5-7-10(9)12/h4-7H,2-3H2,1H3
InChIKeyQDUIRXWAKPKSFP-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.87
Rot. Bonds3

About ethyl 2-(2-iodophenyl)prop-2-enoate

ethyl 2-(2-iodophenyl)prop-2-enoate (PubChem CID 131700037) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is ethyl 2-(2-iodophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(2-iodophenyl)prop-2-enoate
PubChem CID131700037
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Nameethyl 2-(2-iodophenyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1ccccc1I
InChIInChI=1S/C11H11IO2/c1-3-14-11(13)8(2)9-6-4-5-7-10(9)12/h4-7H,2-3H2,1H3
InChIKeyQDUIRXWAKPKSFP-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-ethoxy-3-oxoprop-1-en-2-yl)benzoate
CID 101193966
ethyl 2-naphthalen-1-ylprop-2-enoate;2-naphthalen-1-ylprop-2-enoic acid
CID 162045658
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
ethyl 2-(4-formylnaphthalen-1-yl)prop-2-enoate
CID 87417238
(3-ethoxy-3-oxopropyl) 2-iodobenzoate
CID 119090059
ethyl 2-(3-methylbuta-1,3-dien-2-yl)benzoate
CID 10512902
ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate
CID 153370255
ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
CID 139220418
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
2-iodobenzamide
CID 160670857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-iodophenyl)prop-2-enoate?
The IUPAC name of ethyl 2-(2-iodophenyl)prop-2-enoate (CID 131700037) is ethyl 2-(2-iodophenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(2-iodophenyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(2-iodophenyl)prop-2-enoate is C=C(C(=O)OCC)c1ccccc1I.
What is the InChIKey of ethyl 2-(2-iodophenyl)prop-2-enoate?
The InChIKey is QDUIRXWAKPKSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c1-3-14-11(13)8(2)9-6-4-5-7-10(9)12/h4-7H,2-3H2,1H3.
What are the key properties of ethyl 2-(2-iodophenyl)prop-2-enoate?
ethyl 2-(2-iodophenyl)prop-2-enoate has a molecular weight of 302.11 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-iodophenyl)prop-2-enoate is sourced from PubChem (CID 131700037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).