4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten

C21H20O3W — CID 158462536

IUPAC4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
SMILESCOc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.[W]
InChIInChI=1S/C21H20O3.W/c1-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24-2)14-8-17;/h3-14,22-23H,1-2H3;
InChIKeyHFIWGWRARNPFGP-UHFFFAOYSA-N
MW504.23 g/mol
LogP4.46
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten

4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten (PubChem CID 158462536) has the molecular formula C21H20O3W and a molecular weight of 504.23 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
PubChem CID158462536
Molecular FormulaC21H20O3W
Molecular Weight504.23 g/mol
Exact Mass504.09
IUPAC Name4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
SMILESCOc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.[W]
InChIInChI=1S/C21H20O3.W/c1-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24-2)14-8-17;/h3-14,22-23H,1-2H3;
InChIKeyHFIWGWRARNPFGP-UHFFFAOYSA-N
XLogP4.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.23
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 91273565
methane;4-methoxyphenol
CID 159494332
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 142863748
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
CID 140743150
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
benzene-1,2-diol;4-methoxyphenol
CID 70292826

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten (CID 158462536) is 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten is COc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.[W].
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten?
The InChIKey is HFIWGWRARNPFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3.W/c1-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24-2)14-8-17;/h3-14,22-23H,1-2H3;.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten?
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten has a molecular weight of 504.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten is sourced from PubChem (CID 158462536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).