[4-(2-iodophenoxy)phenyl] prop-2-enoate

C15H11IO3 — CID 142847330

IUPAC[4-(2-iodophenoxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C15H11IO3/c1-2-15(17)19-12-9-7-11(8-10-12)18-14-6-4-3-5-13(14)16/h2-10H,1H2
InChIKeyADTZICLRPHSJKG-UHFFFAOYSA-N
MW366.15 g/mol
LogP4.17
Rot. Bonds4

About [4-(2-iodophenoxy)phenyl] prop-2-enoate

[4-(2-iodophenoxy)phenyl] prop-2-enoate (PubChem CID 142847330) has the molecular formula C15H11IO3 and a molecular weight of 366.15 g/mol. Its IUPAC name is [4-(2-iodophenoxy)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(2-iodophenoxy)phenyl] prop-2-enoate
PubChem CID142847330
Molecular FormulaC15H11IO3
Molecular Weight366.15 g/mol
Exact Mass365.98
IUPAC Name[4-(2-iodophenoxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C15H11IO3/c1-2-15(17)19-12-9-7-11(8-10-12)18-14-6-4-3-5-13(14)16/h2-10H,1H2
InChIKeyADTZICLRPHSJKG-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
phenyl prop-2-enoate;triphenylene
CID 159225619
1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
oxirane;phenyl prop-2-enoate
CID 87443709
(2-methoxyphenyl) prop-2-enoate
CID 22987486
4-(2-iodophenoxy)benzenesulfonamide
CID 43479680
(2-isothiocyanatophenyl) prop-2-enoate
CID 175060327
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419

Frequently Asked Questions

What is the IUPAC name of [4-(2-iodophenoxy)phenyl] prop-2-enoate?
The IUPAC name of [4-(2-iodophenoxy)phenyl] prop-2-enoate (CID 142847330) is [4-(2-iodophenoxy)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(2-iodophenoxy)phenyl] prop-2-enoate?
The canonical SMILES for [4-(2-iodophenoxy)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(Oc2ccccc2I)cc1.
What is the InChIKey of [4-(2-iodophenoxy)phenyl] prop-2-enoate?
The InChIKey is ADTZICLRPHSJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IO3/c1-2-15(17)19-12-9-7-11(8-10-12)18-14-6-4-3-5-13(14)16/h2-10H,1H2.
What are the key properties of [4-(2-iodophenoxy)phenyl] prop-2-enoate?
[4-(2-iodophenoxy)phenyl] prop-2-enoate has a molecular weight of 366.15 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodophenoxy)phenyl] prop-2-enoate is sourced from PubChem (CID 142847330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).