4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol

C16H15IO3 — CID 59821448

IUPAC4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol
SMILESOCCOc1ccc(/C=C/c2ccc(O)cc2)cc1I
InChIInChI=1S/C16H15IO3/c17-15-11-13(5-8-16(15)20-10-9-18)2-1-12-3-6-14(19)7-4-12/h1-8,11,18-19H,9-10H2/b2-1+
InChIKeyNFKPEMSFIJOLDT-OWOJBTEDSA-N
MW382.20 g/mol
LogP3.54
Rot. Bonds5

About 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol

4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol (PubChem CID 59821448) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol
PubChem CID59821448
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol
SMILESOCCOc1ccc(/C=C/c2ccc(O)cc2)cc1I
InChIInChI=1S/C16H15IO3/c17-15-11-13(5-8-16(15)20-10-9-18)2-1-12-3-6-14(19)7-4-12/h1-8,11,18-19H,9-10H2/b2-1+
InChIKeyNFKPEMSFIJOLDT-OWOJBTEDSA-N
XLogP3.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol (CID 59821448) is 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol is OCCOc1ccc(/C=C/c2ccc(O)cc2)cc1I.
What is the InChIKey of 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol?
The InChIKey is NFKPEMSFIJOLDT-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H15IO3/c17-15-11-13(5-8-16(15)20-10-9-18)2-1-12-3-6-14(19)7-4-12/h1-8,11,18-19H,9-10H2/b2-1+.
What are the key properties of 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol?
4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol has a molecular weight of 382.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(2-hydroxyethoxy)-3-iodophenyl]ethenyl]phenol is sourced from PubChem (CID 59821448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).