1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten

C18H20FO3W- — CID 160707756

IUPAC1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten
SMILES[CH2-]COc1ccc(Cc2ccc(OCC(O)CF)cc2)cc1.[W]
InChIInChI=1S/C18H20FO3.W/c1-2-21-17-7-3-14(4-8-17)11-15-5-9-18(10-6-15)22-13-16(20)12-19;/h3-10,16,20H,1-2,11-13H2;/q-1;
InChIKeyOUCCQSOINYEJPD-UHFFFAOYSA-N
MW487.19 g/mol
LogP3.20
Rot. Bonds8

About 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten

1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten (PubChem CID 160707756) has the molecular formula C18H20FO3W- and a molecular weight of 487.19 g/mol. Its IUPAC name is 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten.

Molecular Properties

Compound Name1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten
PubChem CID160707756
Molecular FormulaC18H20FO3W-
Molecular Weight487.19 g/mol
Exact Mass487.09
IUPAC Name1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten
SMILES[CH2-]COc1ccc(Cc2ccc(OCC(O)CF)cc2)cc1.[W]
InChIInChI=1S/C18H20FO3.W/c1-2-21-17-7-3-14(4-8-17)11-15-5-9-18(10-6-15)22-13-16(20)12-19;/h3-10,16,20H,1-2,11-13H2;/q-1;
InChIKeyOUCCQSOINYEJPD-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 162126858
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]butan-2-ol;ethane
CID 143919870
4-(3-fluoro-2-hydroxypropoxy)benzoic acid
CID 155165109
1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159356219
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 145484707
[3-(4-benzylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 66955250
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten?
The IUPAC name of 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten (CID 160707756) is 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten.
What is the SMILES notation for 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten?
The canonical SMILES for 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten is [CH2-]COc1ccc(Cc2ccc(OCC(O)CF)cc2)cc1.[W].
What is the InChIKey of 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten?
The InChIKey is OUCCQSOINYEJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FO3.W/c1-2-21-17-7-3-14(4-8-17)11-15-5-9-18(10-6-15)22-13-16(20)12-19;/h3-10,16,20H,1-2,11-13H2;/q-1;.
What are the key properties of 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten?
1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten has a molecular weight of 487.19 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten is sourced from PubChem (CID 160707756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).