1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol

C15H20F2O2 — CID 107012185

IUPAC1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2O2/c1-2-3-4-5-6-10-14(18)12-8-7-9-13(11-12)19-15(16)17/h2,7-9,11,14-15,18H,1,3-6,10H2
InChIKeyGUVTUTRYKSDENP-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.46
Rot. Bonds9

About 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol

1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol (PubChem CID 107012185) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol
PubChem CID107012185
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2O2/c1-2-3-4-5-6-10-14(18)12-8-7-9-13(11-12)19-15(16)17/h2,7-9,11,14-15,18H,1,3-6,10H2
InChIKeyGUVTUTRYKSDENP-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
(1S)-1-[3-(difluoromethoxy)phenyl]pent-4-en-1-amine
CID 171225720
1-[3-(difluoromethoxy)phenyl]hex-5-yn-1-ol
CID 115831710
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115803658
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol (CID 107012185) is 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol is C=CCCCCCC(O)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol?
The InChIKey is GUVTUTRYKSDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-2-3-4-5-6-10-14(18)12-8-7-9-13(11-12)19-15(16)17/h2,7-9,11,14-15,18H,1,3-6,10H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol?
1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol has a molecular weight of 270.32 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol is sourced from PubChem (CID 107012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).