1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol

C13H15FO — CID 114832660

IUPAC1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
SMILESC#CCCC(C)(O)Cc1ccccc1F
InChIInChI=1S/C13H15FO/c1-3-4-9-13(2,15)10-11-7-5-6-8-12(11)14/h1,5-8,15H,4,9-10H2,2H3
InChIKeyVBDOWWIWFLCIAS-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol

1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol (PubChem CID 114832660) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
PubChem CID114832660
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
SMILESC#CCCC(C)(O)Cc1ccccc1F
InChIInChI=1S/C13H15FO/c1-3-4-9-13(2,15)10-11-7-5-6-8-12(11)14/h1,5-8,15H,4,9-10H2,2H3
InChIKeyVBDOWWIWFLCIAS-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.53
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-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
CID 84720909
2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
CID 75532046
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
2-(2-fluorophenyl)hept-5-yn-2-ol
CID 104809268

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol (CID 114832660) is 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol is C#CCCC(C)(O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol?
The InChIKey is VBDOWWIWFLCIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-3-4-9-13(2,15)10-11-7-5-6-8-12(11)14/h1,5-8,15H,4,9-10H2,2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol?
1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol has a molecular weight of 206.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol is sourced from PubChem (CID 114832660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).