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

C19H21F2O4W- — CID 160711520

IUPAC2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten
SMILESOC[CH-]COc1ccc(Cc2ccc(OCC(F)(F)CO)cc2)cc1.[W]
InChIInChI=1S/C19H21F2O4.W/c20-19(21,13-23)14-25-18-8-4-16(5-9-18)12-15-2-6-17(7-3-15)24-11-1-10-22;/h1-9,22-23H,10-14H2;/q-1;
InChIKeyFQNCXRRQJPXYKT-UHFFFAOYSA-N
MW535.21 g/mol
LogP2.86
Rot. Bonds10

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

2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten (PubChem CID 160711520) has the molecular formula C19H21F2O4W- and a molecular weight of 535.21 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten.

Molecular Properties

Compound Name2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten
PubChem CID160711520
Molecular FormulaC19H21F2O4W-
Molecular Weight535.21 g/mol
Exact Mass535.09
IUPAC Name2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten
SMILESOC[CH-]COc1ccc(Cc2ccc(OCC(F)(F)CO)cc2)cc1.[W]
InChIInChI=1S/C19H21F2O4.W/c20-19(21,13-23)14-25-18-8-4-16(5-9-18)12-15-2-6-17(7-3-15)24-11-1-10-22;/h1-9,22-23H,10-14H2;/q-1;
InChIKeyFQNCXRRQJPXYKT-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

2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol
CID 147880525
1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten
CID 158922205
4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol
CID 58288779
3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten
CID 160724682
formaldehyde;1-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 161327558
3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2,2-difluoropropan-1-ol
CID 89406986
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
4-[[4-(sulfanylmethoxy)phenyl]methyl]phenol
CID 89039452
CID 58273328
CID 58273328
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
CID 104857620

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten?
The IUPAC name of 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten (CID 160711520) is 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten.
What is the SMILES notation for 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten?
The canonical SMILES for 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten is OC[CH-]COc1ccc(Cc2ccc(OCC(F)(F)CO)cc2)cc1.[W].
What is the InChIKey of 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten?
The InChIKey is FQNCXRRQJPXYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2O4.W/c20-19(21,13-23)14-25-18-8-4-16(5-9-18)12-15-2-6-17(7-3-15)24-11-1-10-22;/h1-9,22-23H,10-14H2;/q-1;.
What are the key properties of 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten?
2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-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 2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten is sourced from PubChem (CID 160711520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).