(Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol

C11H12FIO2 — CID 11415991

IUPAC(Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol
SMILESCC(O)C/C(I)=C/Oc1ccc(F)cc1
InChIInChI=1S/C11H12FIO2/c1-8(14)6-10(13)7-15-11-4-2-9(12)3-5-11/h2-5,7-8,14H,6H2,1H3/b10-7-
InChIKeyKHAQTODTWGLZKH-YFHOEESVSA-N
MW322.12 g/mol
LogP3.25
Rot. Bonds4

About (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol

(Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol (PubChem CID 11415991) has the molecular formula C11H12FIO2 and a molecular weight of 322.12 g/mol. Its IUPAC name is (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol.

Molecular Properties

Compound Name(Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol
PubChem CID11415991
Molecular FormulaC11H12FIO2
Molecular Weight322.12 g/mol
Exact Mass321.99
IUPAC Name(Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol
SMILESCC(O)C/C(I)=C/Oc1ccc(F)cc1
InChIInChI=1S/C11H12FIO2/c1-8(14)6-10(13)7-15-11-4-2-9(12)3-5-11/h2-5,7-8,14H,6H2,1H3/b10-7-
InChIKeyKHAQTODTWGLZKH-YFHOEESVSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenoxy)boronic acid;propane-1,2-diol
CID 175345760
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
(Z)-5-(4-fluorophenoxy)-4-iodopent-3-en-2-one
CID 11347743
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
2-fluoro-1-(4-fluorophenoxy)ethanol
CID 174637164
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
(Z)-5-(4-fluorophenyl)-4-methylpent-3-en-2-ol
CID 114835346
1-(4-fluorophenoxy)ethanamine
CID 68874100
beryllium;(4-fluorophenyl) formate;hydride
CID 174840715

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol?
The IUPAC name of (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol (CID 11415991) is (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol.
What is the SMILES notation for (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol?
The canonical SMILES for (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol is CC(O)C/C(I)=C/Oc1ccc(F)cc1.
What is the InChIKey of (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol?
The InChIKey is KHAQTODTWGLZKH-YFHOEESVSA-N. The full InChI is InChI=1S/C11H12FIO2/c1-8(14)6-10(13)7-15-11-4-2-9(12)3-5-11/h2-5,7-8,14H,6H2,1H3/b10-7-.
What are the key properties of (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol?
(Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol has a molecular weight of 322.12 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-fluorophenoxy)-4-iodopent-4-en-2-ol is sourced from PubChem (CID 11415991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).