3-(3-fluorophenyl)pent-1-en-3-ol

C11H13FO — CID 114872435

IUPAC3-(3-fluorophenyl)pent-1-en-3-ol
SMILESC=CC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-11(13,4-2)9-6-5-7-10(12)8-9/h3,5-8,13H,1,4H2,2H3
InChIKeyXZJVBDDBRMIICS-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.61
Rot. Bonds3

About 3-(3-fluorophenyl)pent-1-en-3-ol

3-(3-fluorophenyl)pent-1-en-3-ol (PubChem CID 114872435) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 3-(3-fluorophenyl)pent-1-en-3-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)pent-1-en-3-ol
PubChem CID114872435
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name3-(3-fluorophenyl)pent-1-en-3-ol
SMILESC=CC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-11(13,4-2)9-6-5-7-10(12)8-9/h3,5-8,13H,1,4H2,2H3
InChIKeyXZJVBDDBRMIICS-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

CID 59612023
CID 59612023
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol
CID 139260551
(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
3-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114872328
2-(3-fluorophenyl)pent-4-en-2-amine
CID 130059150

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)pent-1-en-3-ol?
The IUPAC name of 3-(3-fluorophenyl)pent-1-en-3-ol (CID 114872435) is 3-(3-fluorophenyl)pent-1-en-3-ol.
What is the SMILES notation for 3-(3-fluorophenyl)pent-1-en-3-ol?
The canonical SMILES for 3-(3-fluorophenyl)pent-1-en-3-ol is C=CC(O)(CC)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)pent-1-en-3-ol?
The InChIKey is XZJVBDDBRMIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-11(13,4-2)9-6-5-7-10(12)8-9/h3,5-8,13H,1,4H2,2H3.
What are the key properties of 3-(3-fluorophenyl)pent-1-en-3-ol?
3-(3-fluorophenyl)pent-1-en-3-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 3-(3-fluorophenyl)pent-1-en-3-ol is sourced from PubChem (CID 114872435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).