(Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol

C24H27FO — CID 11302555

IUPAC(Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol
SMILESCCC/C(C#Cc1ccccc1)=C(\CCC)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C24H27FO/c1-4-9-20(14-13-19-11-7-6-8-12-19)23(10-5-2)24(3,26)21-15-17-22(25)18-16-21/h6-8,11-12,15-18,26H,4-5,9-10H2,1-3H3/b23-20-
InChIKeyGGWAFUYPVNVGDB-ATJXCDBQSA-N
MW350.48 g/mol
LogP5.98
Rot. Bonds6

About (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol

(Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol (PubChem CID 11302555) has the molecular formula C24H27FO and a molecular weight of 350.48 g/mol. Its IUPAC name is (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol.

Molecular Properties

Compound Name(Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol
PubChem CID11302555
Molecular FormulaC24H27FO
Molecular Weight350.48 g/mol
Exact Mass350.20
IUPAC Name(Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol
SMILESCCC/C(C#Cc1ccccc1)=C(\CCC)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C24H27FO/c1-4-9-20(14-13-19-11-7-6-8-12-19)23(10-5-2)24(3,26)21-15-17-22(25)18-16-21/h6-8,11-12,15-18,26H,4-5,9-10H2,1-3H3/b23-20-
InChIKeyGGWAFUYPVNVGDB-ATJXCDBQSA-N
XLogP5.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol?
The IUPAC name of (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol (CID 11302555) is (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol.
What is the SMILES notation for (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol?
The canonical SMILES for (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol is CCC/C(C#Cc1ccccc1)=C(\CCC)C(C)(O)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol?
The InChIKey is GGWAFUYPVNVGDB-ATJXCDBQSA-N. The full InChI is InChI=1S/C24H27FO/c1-4-9-20(14-13-19-11-7-6-8-12-19)23(10-5-2)24(3,26)21-15-17-22(25)18-16-21/h6-8,11-12,15-18,26H,4-5,9-10H2,1-3H3/b23-20-.
What are the key properties of (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol?
(Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol has a molecular weight of 350.48 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol is sourced from PubChem (CID 11302555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).