1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol

C15H19FO — CID 146003542

IUPAC1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol
SMILESCCC(C)CC(C)(O)C#Cc1ccc(F)cc1
InChIInChI=1S/C15H19FO/c1-4-12(2)11-15(3,17)10-9-13-5-7-14(16)8-6-13/h5-8,12,17H,4,11H2,1-3H3
InChIKeyOGATVVRSGDWOEY-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol

1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol (PubChem CID 146003542) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol
PubChem CID146003542
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol
SMILESCCC(C)CC(C)(O)C#Cc1ccc(F)cc1
InChIInChI=1S/C15H19FO/c1-4-12(2)11-15(3,17)10-9-13-5-7-14(16)8-6-13/h5-8,12,17H,4,11H2,1-3H3
InChIKeyOGATVVRSGDWOEY-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.36
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-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
1-(Phenylethynyl)-1-cyclohexanol
CID 593776
4-Phenyl-2-methyl-3-butyn-2-ol
CID 288327
1-Phenyl-4-methyl-1-pentyn-3-ol
CID 138800
1-(4-Fluorophenyl)-2-methyl-2-propanol
CID 520425
Cyclopropanol, 1-(phenylethynyl)-
CID 11126537
3,4,4-Trimethyl-1-phenylpent-1-yn-3-ol
CID 5022606
1-(3,4-Difluorophenyl)oct-1-yn-3-ol
CID 146003095
1-(3,4-Difluorophenyl)hept-1-yn-3-ol
CID 146003105
(3S)-1-(3,4-difluorophenyl)oct-1-yn-3-ol
CID 156014508
1-(3,4-Difluorophenyl)hex-1-yn-3-ol
CID 156015115

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol (CID 146003542) is 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol is CCC(C)CC(C)(O)C#Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol?
The InChIKey is OGATVVRSGDWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-4-12(2)11-15(3,17)10-9-13-5-7-14(16)8-6-13/h5-8,12,17H,4,11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol?
1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol has a molecular weight of 234.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol is sourced from PubChem (CID 146003542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).