1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol

C12H14F2O2 — CID 115804584

IUPAC1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14F2O2/c1-2-3-7-11(15)9-5-4-6-10(8-9)16-12(13)14/h2,4-6,8,11-12,15H,1,3,7H2
InChIKeyQRIXOABVHCUXQS-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.29
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol

1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol (PubChem CID 115804584) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
PubChem CID115804584
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14F2O2/c1-2-3-7-11(15)9-5-4-6-10(8-9)16-12(13)14/h2,4-6,8,11-12,15H,1,3,7H2
InChIKeyQRIXOABVHCUXQS-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol
CID 107012185
(1S)-1-[3-(difluoromethoxy)phenyl]pent-4-en-1-amine
CID 171225720
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]hex-5-yn-1-ol
CID 115831710
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
1-[3-(difluoromethoxy)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115803658
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol (CID 115804584) is 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol is C=CCCC(O)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol?
The InChIKey is QRIXOABVHCUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-2-3-7-11(15)9-5-4-6-10(8-9)16-12(13)14/h2,4-6,8,11-12,15H,1,3,7H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol?
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol has a molecular weight of 228.24 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol is sourced from PubChem (CID 115804584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).