(Z)-3-iodo-1-phenylnon-2-en-1-ol

C15H21IO — CID 102087463

IUPAC(Z)-3-iodo-1-phenylnon-2-en-1-ol
SMILESCCCCCC/C(I)=C/C(O)c1ccccc1
InChIInChI=1S/C15H21IO/c1-2-3-4-8-11-14(16)12-15(17)13-9-6-5-7-10-13/h5-7,9-10,12,15,17H,2-4,8,11H2,1H3/b14-12-
InChIKeyPIKRHAOZEFADEB-OWBHPGMISA-N
MW344.24 g/mol
LogP5.01
Rot. Bonds7

About (Z)-3-iodo-1-phenylnon-2-en-1-ol

(Z)-3-iodo-1-phenylnon-2-en-1-ol (PubChem CID 102087463) has the molecular formula C15H21IO and a molecular weight of 344.24 g/mol. Its IUPAC name is (Z)-3-iodo-1-phenylnon-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-iodo-1-phenylnon-2-en-1-ol
PubChem CID102087463
Molecular FormulaC15H21IO
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC Name(Z)-3-iodo-1-phenylnon-2-en-1-ol
SMILESCCCCCC/C(I)=C/C(O)c1ccccc1
InChIInChI=1S/C15H21IO/c1-2-3-4-8-11-14(16)12-15(17)13-9-6-5-7-10-13/h5-7,9-10,12,15,17H,2-4,8,11H2,1H3/b14-12-
InChIKeyPIKRHAOZEFADEB-OWBHPGMISA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-iodo-1-phenylnon-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-iodo-1-phenylnon-2-en-1-ol?
The IUPAC name of (Z)-3-iodo-1-phenylnon-2-en-1-ol (CID 102087463) is (Z)-3-iodo-1-phenylnon-2-en-1-ol.
What is the SMILES notation for (Z)-3-iodo-1-phenylnon-2-en-1-ol?
The canonical SMILES for (Z)-3-iodo-1-phenylnon-2-en-1-ol is CCCCCC/C(I)=C/C(O)c1ccccc1.
What is the InChIKey of (Z)-3-iodo-1-phenylnon-2-en-1-ol?
The InChIKey is PIKRHAOZEFADEB-OWBHPGMISA-N. The full InChI is InChI=1S/C15H21IO/c1-2-3-4-8-11-14(16)12-15(17)13-9-6-5-7-10-13/h5-7,9-10,12,15,17H,2-4,8,11H2,1H3/b14-12-.
What are the key properties of (Z)-3-iodo-1-phenylnon-2-en-1-ol?
(Z)-3-iodo-1-phenylnon-2-en-1-ol has a molecular weight of 344.24 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-1-phenylnon-2-en-1-ol is sourced from PubChem (CID 102087463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).