(E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol

C15H15IN2O3 — CID 19778887

IUPAC(E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol
SMILESCC(/C=C/CO)Oc1ccc(Oc2ncc(I)cn2)cc1
InChIInChI=1S/C15H15IN2O3/c1-11(3-2-8-19)20-13-4-6-14(7-5-13)21-15-17-9-12(16)10-18-15/h2-7,9-11,19H,8H2,1H3/b3-2+
InChIKeyPLWHRRIHDXYFOP-NSCUHMNNSA-N
MW398.20 g/mol
LogP3.19
Rot. Bonds6

About (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol

(E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol (PubChem CID 19778887) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol
PubChem CID19778887
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC Name(E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol
SMILESCC(/C=C/CO)Oc1ccc(Oc2ncc(I)cn2)cc1
InChIInChI=1S/C15H15IN2O3/c1-11(3-2-8-19)20-13-4-6-14(7-5-13)21-15-17-9-12(16)10-18-15/h2-7,9-11,19H,8H2,1H3/b3-2+
InChIKeyPLWHRRIHDXYFOP-NSCUHMNNSA-N
XLogP3.19
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-iodopyrimidin-2-yl)oxyphenyl]ethanol
CID 104844198
2-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]-3-methylsulfonylpropanamide
CID 57038892
2-(4-fluorophenoxy)-5-iodopyrimidine
CID 104839781
5-iodo-2-[4-(2-methylbutan-2-yl)phenoxy]pyrimidine
CID 116649130
2-(4-butylphenoxy)-5-iodopyrimidine
CID 116649242
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
5-iodo-2-(2-methylpropoxy)pyrimidine
CID 116649140
2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
CID 104844164
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
[2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol
CID 116649213
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol?
The IUPAC name of (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol (CID 19778887) is (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol.
What is the SMILES notation for (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol?
The canonical SMILES for (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol is CC(/C=C/CO)Oc1ccc(Oc2ncc(I)cn2)cc1.
What is the InChIKey of (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol?
The InChIKey is PLWHRRIHDXYFOP-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H15IN2O3/c1-11(3-2-8-19)20-13-4-6-14(7-5-13)21-15-17-9-12(16)10-18-15/h2-7,9-11,19H,8H2,1H3/b3-2+.
What are the key properties of (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol?
(E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol has a molecular weight of 398.20 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(5-iodopyrimidin-2-yl)oxyphenoxy]pent-2-en-1-ol is sourced from PubChem (CID 19778887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).