(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol

C15H12FIO — CID 141177290

IUPAC(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol
SMILESOC/C=C(/c1ccc(F)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H12FIO/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-9,18H,10H2/b15-9-
InChIKeyFALLIWKORMTNKV-DHDCSXOGSA-N
MW354.16 g/mol
LogP3.85
Rot. Bonds3

About (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol

(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol (PubChem CID 141177290) has the molecular formula C15H12FIO and a molecular weight of 354.16 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol
PubChem CID141177290
Molecular FormulaC15H12FIO
Molecular Weight354.16 g/mol
Exact Mass353.99
IUPAC Name(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol
SMILESOC/C=C(/c1ccc(F)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H12FIO/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-9,18H,10H2/b15-9-
InChIKeyFALLIWKORMTNKV-DHDCSXOGSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol (CID 141177290) is (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol is OC/C=C(/c1ccc(F)cc1)c1ccc(I)cc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol?
The InChIKey is FALLIWKORMTNKV-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H12FIO/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-9,18H,10H2/b15-9-.
What are the key properties of (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol?
(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol has a molecular weight of 354.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol is sourced from PubChem (CID 141177290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).