1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol

C14H17FO — CID 146003506

IUPAC1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol
SMILESCCCCC(O)C#Cc1ccc(F)c(C)c1
InChIInChI=1S/C14H17FO/c1-3-4-5-13(16)8-6-12-7-9-14(15)11(2)10-12/h7,9-10,13,16H,3-5H2,1-2H3
InChIKeyHJIHARUNYWBJFG-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.04
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol

1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol (PubChem CID 146003506) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol
PubChem CID146003506
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol
SMILESCCCCC(O)C#Cc1ccc(F)c(C)c1
InChIInChI=1S/C14H17FO/c1-3-4-5-13(16)8-6-12-7-9-14(15)11(2)10-12/h7,9-10,13,16H,3-5H2,1-2H3
InChIKeyHJIHARUNYWBJFG-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.04
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

4-(4-fluoro-3-methylphenyl)but-3-yn-2-ol
CID 130055776
1-fluoro-2-methyl-4-non-1-ynylbenzene
CID 146003504
1-(3-methylsulfanylphenyl)hept-1-yn-3-ol
CID 146003688
1-(3-chloro-5-fluorophenyl)oct-1-yn-3-ol
CID 146002847
1-(2-methylphenyl)hept-1-yn-3-ol
CID 146003646
1-(4-butylphenyl)oct-1-yn-3-ol
CID 146002782
4-(2-bromoethynyl)-1-fluoro-2-methylbenzene
CID 44632069
ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
CID 142361482
1-(4-fluoro-3-methylphenyl)hexylhydrazine
CID 105204173
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]oct-1-yn-3-ol
CID 146002747
1-(2-methylphenyl)oct-1-yn-3-ol
CID 146003640
1-(4-fluoro-3-methylphenyl)undecylhydrazine
CID 105204213

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol (CID 146003506) is 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol is CCCCC(O)C#Cc1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol?
The InChIKey is HJIHARUNYWBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-3-4-5-13(16)8-6-12-7-9-14(15)11(2)10-12/h7,9-10,13,16H,3-5H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol?
1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol has a molecular weight of 220.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol is sourced from PubChem (CID 146003506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).