3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten

C22H29O6W- — CID 160724682

IUPAC3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten
SMILESCOCCOCOCCOc1ccc(Cc2ccc(OC[CH-]CO)cc2)cc1.[W]
InChIInChI=1S/C22H29O6.W/c1-24-13-14-25-18-26-15-16-28-22-9-5-20(6-10-22)17-19-3-7-21(8-4-19)27-12-2-11-23;/h2-10,23H,11-18H2,1H3;/q-1;
InChIKeyFRTSAYBHPIXEDT-UHFFFAOYSA-N
MW573.31 g/mol
LogP2.87
Rot. Bonds15

About 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten

3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten (PubChem CID 160724682) has the molecular formula C22H29O6W- and a molecular weight of 573.31 g/mol. Its IUPAC name is 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten.

Molecular Properties

Compound Name3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten
PubChem CID160724682
Molecular FormulaC22H29O6W-
Molecular Weight573.31 g/mol
Exact Mass573.15
IUPAC Name3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten
SMILESCOCCOCOCCOc1ccc(Cc2ccc(OC[CH-]CO)cc2)cc1.[W]
InChIInChI=1S/C22H29O6.W/c1-24-13-14-25-18-26-15-16-28-22-9-5-20(6-10-22)17-19-3-7-21(8-4-19)27-12-2-11-23;/h2-10,23H,11-18H2,1H3;/q-1;
InChIKeyFRTSAYBHPIXEDT-UHFFFAOYSA-N
XLogP2.87
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten
CID 160711520
1,1-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;tungsten
CID 158922205
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
formaldehyde;1-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 161327558
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
CID 151551370
1,3-bis(4-butoxyphenyl)-5-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]benzene
CID 121286376
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane
CID 20764816
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten?
The IUPAC name of 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten (CID 160724682) is 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten.
What is the SMILES notation for 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten?
The canonical SMILES for 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten is COCCOCOCCOc1ccc(Cc2ccc(OC[CH-]CO)cc2)cc1.[W].
What is the InChIKey of 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten?
The InChIKey is FRTSAYBHPIXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O6.W/c1-24-13-14-25-18-26-15-16-28-22-9-5-20(6-10-22)17-19-3-7-21(8-4-19)27-12-2-11-23;/h2-10,23H,11-18H2,1H3;/q-1;.
What are the key properties of 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten?
3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten has a molecular weight of 573.31 g/mol, XLogP of 2.87, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten is sourced from PubChem (CID 160724682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).