2-(3-fluorophenyl)pent-4-en-2-ol

C11H13FO — CID 22086786

IUPAC2-(3-fluorophenyl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h3-6,8,13H,1,7H2,2H3
InChIKeyZHNNDFCRSHEFAT-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-fluorophenyl)pent-4-en-2-ol

2-(3-fluorophenyl)pent-4-en-2-ol (PubChem CID 22086786) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)pent-4-en-2-ol
PubChem CID22086786
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name2-(3-fluorophenyl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h3-6,8,13H,1,7H2,2H3
InChIKeyZHNNDFCRSHEFAT-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.61
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

2-(3-fluorophenyl)pent-4-en-2-amine
CID 130059150
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
methyl (2R)-2-(3-fluorophenyl)-2-hydroxypent-4-enoate
CID 23656504
3-(3-fluorophenyl)pent-1-en-3-ol
CID 114872435
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
CID 65479485
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)pent-4-en-2-ol?
The IUPAC name of 2-(3-fluorophenyl)pent-4-en-2-ol (CID 22086786) is 2-(3-fluorophenyl)pent-4-en-2-ol.
What is the SMILES notation for 2-(3-fluorophenyl)pent-4-en-2-ol?
The canonical SMILES for 2-(3-fluorophenyl)pent-4-en-2-ol is C=CCC(C)(O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)pent-4-en-2-ol?
The InChIKey is ZHNNDFCRSHEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h3-6,8,13H,1,7H2,2H3.
What are the key properties of 2-(3-fluorophenyl)pent-4-en-2-ol?
2-(3-fluorophenyl)pent-4-en-2-ol has a molecular weight of 180.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)pent-4-en-2-ol is sourced from PubChem (CID 22086786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).