4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol

C13H11FO — CID 139260551

IUPAC4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol
SMILESC#CCC(O)(C=C=C)c1cccc(F)c1
InChIInChI=1S/C13H11FO/c1-3-8-13(15,9-4-2)11-6-5-7-12(14)10-11/h1,5-7,9-10,15H,2,8H2
InChIKeyIPPDIEKHUJOKGW-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.38
Rot. Bonds3

About 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol

4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol (PubChem CID 139260551) has the molecular formula C13H11FO and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol.

Molecular Properties

Compound Name4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol
PubChem CID139260551
Molecular FormulaC13H11FO
Molecular Weight202.23 g/mol
Exact Mass202.08
IUPAC Name4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol
SMILESC#CCC(O)(C=C=C)c1cccc(F)c1
InChIInChI=1S/C13H11FO/c1-3-8-13(15,9-4-2)11-6-5-7-12(14)10-11/h1,5-7,9-10,15H,2,8H2
InChIKeyIPPDIEKHUJOKGW-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)pent-1-en-3-ol
CID 114872435
CID 59612023
CID 59612023
(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
1-chloro-2-phenylpenta-3,4-dien-2-ol
CID 121218149
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
2-amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-fluorophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82868856
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol?
The IUPAC name of 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol (CID 139260551) is 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol.
What is the SMILES notation for 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol?
The canonical SMILES for 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol is C#CCC(O)(C=C=C)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol?
The InChIKey is IPPDIEKHUJOKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO/c1-3-8-13(15,9-4-2)11-6-5-7-12(14)10-11/h1,5-7,9-10,15H,2,8H2.
What are the key properties of 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol?
4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol has a molecular weight of 202.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)hepta-1,2-dien-6-yn-4-ol is sourced from PubChem (CID 139260551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).