(Z)-3-(4-iodophenyl)but-2-en-1-ol

C10H11IO — CID 22557590

IUPAC(Z)-3-(4-iodophenyl)but-2-en-1-ol
SMILESC/C(=C/CO)c1ccc(I)cc1
InChIInChI=1S/C10H11IO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6-
InChIKeyKYGKGXITSZRPHP-VURMDHGXSA-N
MW274.10 g/mol
LogP2.69
Rot. Bonds2

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

(Z)-3-(4-iodophenyl)but-2-en-1-ol (PubChem CID 22557590) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is (Z)-3-(4-iodophenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(4-iodophenyl)but-2-en-1-ol
PubChem CID22557590
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name(Z)-3-(4-iodophenyl)but-2-en-1-ol
SMILESC/C(=C/CO)c1ccc(I)cc1
InChIInChI=1S/C10H11IO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6-
InChIKeyKYGKGXITSZRPHP-VURMDHGXSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-iodophenyl)but-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-iodophenyl)but-2-en-1-ol?
The IUPAC name of (Z)-3-(4-iodophenyl)but-2-en-1-ol (CID 22557590) is (Z)-3-(4-iodophenyl)but-2-en-1-ol.
What is the SMILES notation for (Z)-3-(4-iodophenyl)but-2-en-1-ol?
The canonical SMILES for (Z)-3-(4-iodophenyl)but-2-en-1-ol is C/C(=C/CO)c1ccc(I)cc1.
What is the InChIKey of (Z)-3-(4-iodophenyl)but-2-en-1-ol?
The InChIKey is KYGKGXITSZRPHP-VURMDHGXSA-N. The full InChI is InChI=1S/C10H11IO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6-.
What are the key properties of (Z)-3-(4-iodophenyl)but-2-en-1-ol?
(Z)-3-(4-iodophenyl)but-2-en-1-ol has a molecular weight of 274.10 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-iodophenyl)but-2-en-1-ol is sourced from PubChem (CID 22557590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).