1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten

C19H21F2O4W- — CID 158922205

IUPAC1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten
SMILESOC[CH-]COc1ccc(Cc2ccc(OCC(O)C(F)F)cc2)cc1.[W]
InChIInChI=1S/C19H21F2O4.W/c20-19(21)18(23)13-25-17-8-4-15(5-9-17)12-14-2-6-16(7-3-14)24-11-1-10-22;/h1-9,18-19,22-23H,10-13H2;/q-1;
InChIKeyLTPCVKSBGAXFPF-UHFFFAOYSA-N
MW535.21 g/mol
LogP2.86
Rot. Bonds10

About 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten

1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten (PubChem CID 158922205) has the molecular formula C19H21F2O4W- and a molecular weight of 535.21 g/mol. Its IUPAC name is 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten.

Molecular Properties

Compound Name1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten
PubChem CID158922205
Molecular FormulaC19H21F2O4W-
Molecular Weight535.21 g/mol
Exact Mass535.09
IUPAC Name1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten
SMILESOC[CH-]COc1ccc(Cc2ccc(OCC(O)C(F)F)cc2)cc1.[W]
InChIInChI=1S/C19H21F2O4.W/c20-19(21)18(23)13-25-17-8-4-15(5-9-17)12-14-2-6-16(7-3-14)24-11-1-10-22;/h1-9,18-19,22-23H,10-13H2;/q-1;
InChIKeyLTPCVKSBGAXFPF-UHFFFAOYSA-N
XLogP2.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.21
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;1-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 161327558
2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten
CID 160711520
3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten
CID 160724682
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten
CID 160707756
1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159356219
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 145484707
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]butan-2-ol;ethane
CID 143919870
1-(2-aminoethylamino)-3-[4-[[4-[3-(2-aminoethylamino)-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 126581077

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten?
The IUPAC name of 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten (CID 158922205) is 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten.
What is the SMILES notation for 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten?
The canonical SMILES for 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten is OC[CH-]COc1ccc(Cc2ccc(OCC(O)C(F)F)cc2)cc1.[W].
What is the InChIKey of 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten?
The InChIKey is LTPCVKSBGAXFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2O4.W/c20-19(21)18(23)13-25-17-8-4-15(5-9-17)12-14-2-6-16(7-3-14)24-11-1-10-22;/h1-9,18-19,22-23H,10-13H2;/q-1;.
What are the key properties of 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten?
1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten has a molecular weight of 535.21 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten is sourced from PubChem (CID 158922205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).