ethyl 3-(2-iodophenyl)prop-2-enoate

C11H11IO2 — CID 74333106

IUPACethyl 3-(2-iodophenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1I
InChIInChI=1S/C11H11IO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKeyWDZNHXHZWQKOJZ-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.87
Rot. Bonds3

About ethyl 3-(2-iodophenyl)prop-2-enoate

ethyl 3-(2-iodophenyl)prop-2-enoate (PubChem CID 74333106) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is ethyl 3-(2-iodophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-iodophenyl)prop-2-enoate
PubChem CID74333106
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Nameethyl 3-(2-iodophenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1I
InChIInChI=1S/C11H11IO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKeyWDZNHXHZWQKOJZ-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

ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169480024
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
ethyl 3-[2-(2-methoxy-2-oxoethyl)phenyl]prop-2-enoate
CID 169480754
ethyl (Z)-3-[2-(3-oxobutyl)phenyl]prop-2-enoate
CID 101402562
ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
CID 169481281
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-iodophenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-iodophenyl)prop-2-enoate (CID 74333106) is ethyl 3-(2-iodophenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-iodophenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-iodophenyl)prop-2-enoate is CCOC(=O)C=Cc1ccccc1I.
What is the InChIKey of ethyl 3-(2-iodophenyl)prop-2-enoate?
The InChIKey is WDZNHXHZWQKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-(2-iodophenyl)prop-2-enoate?
ethyl 3-(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 3-(2-iodophenyl)prop-2-enoate is sourced from PubChem (CID 74333106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).