1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol

C12H15FO — CID 176716078

IUPAC1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(F)ccc1CCC
InChIInChI=1S/C12H15FO/c1-3-5-9-6-7-10(13)8-11(9)12(14)4-2/h4,6-8,12,14H,2-3,5H2,1H3
InChIKeyUNPCWPXHCFKCMB-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.00
Rot. Bonds4

About 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol

1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol (PubChem CID 176716078) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
PubChem CID176716078
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(F)ccc1CCC
InChIInChI=1S/C12H15FO/c1-3-5-9-6-7-10(13)8-11(9)12(14)4-2/h4,6-8,12,14H,2-3,5H2,1H3
InChIKeyUNPCWPXHCFKCMB-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-pentan-3-yl-1-propylbenzene
CID 170087040
1-(2,5-difluorophenyl)prop-2-en-1-ol
CID 58950540
1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
CID 176716143
ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
CID 176716116
ethane;5-fluoro-2-propylphenol
CID 143012210
1-(2-pentylphenyl)prop-2-en-1-ol
CID 68650021
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
CID 68783636
1-(4-propylphenyl)prop-2-en-1-ol
CID 83635929
4-fluoro-2-propylaniline
CID 23348947
4-fluoro-1-iodo-2-propylbenzene
CID 126738396
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
1-(2-fluoro-4-methylphenyl)prop-2-en-1-ol
CID 115814697

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol (CID 176716078) is 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol is C=CC(O)c1cc(F)ccc1CCC.
What is the InChIKey of 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol?
The InChIKey is UNPCWPXHCFKCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-3-5-9-6-7-10(13)8-11(9)12(14)4-2/h4,6-8,12,14H,2-3,5H2,1H3.
What are the key properties of 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol?
1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol has a molecular weight of 194.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 176716078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).