2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol

C15H11F3O3 — CID 65350657

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1COc2ccccc2O1
InChIInChI=1S/C15H11F3O3/c16-9-6-5-8(13(17)14(9)18)15(19)12-7-20-10-3-1-2-4-11(10)21-12/h1-6,12,15,19H,7H2
InChIKeyFFNKJVRLLDYHQN-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.98
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol

2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol (PubChem CID 65350657) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
PubChem CID65350657
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1COc2ccccc2O1
InChIInChI=1S/C15H11F3O3/c16-9-6-5-8(13(17)14(9)18)15(19)12-7-20-10-3-1-2-4-11(10)21-12/h1-6,12,15,19H,7H2
InChIKeyFFNKJVRLLDYHQN-UHFFFAOYSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61272354
3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65411549
2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 65350710
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61081011
(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61087978
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol
CID 55006634
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylthiophen-2-yl)methanol
CID 81158440
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbutan-1-ol
CID 65351243

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol (CID 65350657) is 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol is OC(c1ccc(F)c(F)c1F)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol?
The InChIKey is FFNKJVRLLDYHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-9-6-5-8(13(17)14(9)18)15(19)12-7-20-10-3-1-2-4-11(10)21-12/h1-6,12,15,19H,7H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol?
2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol has a molecular weight of 296.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 65350657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).