acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten

C24H24O6W — CID 20709048

IUPACacetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
SMILESCC(=O)O.COc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)O)cc2)cc1.[W]
InChIInChI=1S/C22H20O4.C2H4O2.W/c1-22(16-6-4-3-5-7-16,17-8-12-19(25-2)13-9-17)18-10-14-20(15-11-18)26-21(23)24;1-2(3)4;/h3-15H,1-2H3,(H,23,24);1H3,(H,3,4);
InChIKeyGHDYWDFYTBLHOC-UHFFFAOYSA-N
MW592.29 g/mol
LogP5.19
Rot. Bonds5

About acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten

acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten (PubChem CID 20709048) has the molecular formula C24H24O6W and a molecular weight of 592.29 g/mol. Its IUPAC name is acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten.

Molecular Properties

Compound Nameacetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
PubChem CID20709048
Molecular FormulaC24H24O6W
Molecular Weight592.29 g/mol
Exact Mass592.11
IUPAC Nameacetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
SMILESCC(=O)O.COc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)O)cc2)cc1.[W]
InChIInChI=1S/C22H20O4.C2H4O2.W/c1-22(16-6-4-3-5-7-16,17-8-12-19(25-2)13-9-17)18-10-14-20(15-11-18)26-21(23)24;1-2(3)4;/h3-15H,1-2H3,(H,23,24);1H3,(H,3,4);
InChIKeyGHDYWDFYTBLHOC-UHFFFAOYSA-N
XLogP5.19
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.29
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
CID 161219499
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 142863748
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
[4-[1,1-bis(4-benzoyloxyphenyl)ethyl]phenyl] benzoate
CID 19918778
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536

Frequently Asked Questions

What is the IUPAC name of acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten?
The IUPAC name of acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten (CID 20709048) is acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten.
What is the SMILES notation for acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten?
The canonical SMILES for acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten is CC(=O)O.COc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)O)cc2)cc1.[W].
What is the InChIKey of acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten?
The InChIKey is GHDYWDFYTBLHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4.C2H4O2.W/c1-22(16-6-4-3-5-7-16,17-8-12-19(25-2)13-9-17)18-10-14-20(15-11-18)26-21(23)24;1-2(3)4;/h3-15H,1-2H3,(H,23,24);1H3,(H,3,4);.
What are the key properties of acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten?
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten has a molecular weight of 592.29 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten is sourced from PubChem (CID 20709048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).