(E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol

C17H12F2O — CID 102383487

IUPAC(E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol
SMILESOC(C#Cc1ccc(F)cc1F)/C=C/c1ccccc1
InChIInChI=1S/C17H12F2O/c18-15-9-7-14(17(19)12-15)8-11-16(20)10-6-13-4-2-1-3-5-13/h1-7,9-10,12,16,20H/b10-6+
InChIKeyXTCYAAUQIIJWMA-UXBLZVDNSA-N
MW270.28 g/mol
LogP3.39
Rot. Bonds2

About (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol

(E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol (PubChem CID 102383487) has the molecular formula C17H12F2O and a molecular weight of 270.28 g/mol. Its IUPAC name is (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol
PubChem CID102383487
Molecular FormulaC17H12F2O
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol
SMILESOC(C#Cc1ccc(F)cc1F)/C=C/c1ccccc1
InChIInChI=1S/C17H12F2O/c18-15-9-7-14(17(19)12-15)8-11-16(20)10-6-13-4-2-1-3-5-13/h1-7,9-10,12,16,20H/b10-6+
InChIKeyXTCYAAUQIIJWMA-UXBLZVDNSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diphenyl-1,4-pentadiyn-3-OL
CID 568438
5-(4-Fluorophenyl)penta-2,4-dien-1-ol
CID 6456465
(2E)-3-(3-fluorophenyl)prop-2-en-1-ol
CID 11051851
(10E)-10-benzylidenecyclodeca-2,8-diyn-1-ol
CID 9813454
1-(3,4-Difluorophenyl)hept-1-yn-3-ol
CID 146003105
1-(3,4-Difluorophenyl)hex-1-yn-3-ol
CID 156015115
(3S)-1-(3,4-difluorophenyl)hept-1-yn-3-ol
CID 156016395
(3R)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156018316
(3R)-1-(3,4-difluorophenyl)hept-1-yn-3-ol
CID 156021361
(3S)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156021925
1-Phenyl-3-hydroxy-2-fluoropropene-1
CID 5373295
2-Penten-4-yn-1-ol, 5-phenyl-, (E)-
CID 5463198

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol?
The IUPAC name of (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol (CID 102383487) is (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol.
What is the SMILES notation for (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol?
The canonical SMILES for (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol is OC(C#Cc1ccc(F)cc1F)/C=C/c1ccccc1.
What is the InChIKey of (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol?
The InChIKey is XTCYAAUQIIJWMA-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H12F2O/c18-15-9-7-14(17(19)12-15)8-11-16(20)10-6-13-4-2-1-3-5-13/h1-7,9-10,12,16,20H/b10-6+.
What are the key properties of (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol?
(E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol has a molecular weight of 270.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,4-difluorophenyl)-1-phenylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 102383487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).