[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

C22H18O5 — CID 7133621

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H18O5/c1-26-20-12-8-17(9-13-20)21(24)14-27-22(25)18-4-2-15(3-5-18)16-6-10-19(23)11-7-16/h2-13,23H,14H2,1H3
InChIKeyYUOOYSXIRBORMM-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.11
Rot. Bonds6

About [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 7133621) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID7133621
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H18O5/c1-26-20-12-8-17(9-13-20)21(24)14-27-22(25)18-4-2-15(3-5-18)16-6-10-19(23)11-7-16/h2-13,23H,14H2,1H3
InChIKeyYUOOYSXIRBORMM-UHFFFAOYSA-N
XLogP4.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346667
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
[2-(4-methoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834012
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 7866659
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 7133621) is [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is COc1ccc(C(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is YUOOYSXIRBORMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-26-20-12-8-17(9-13-20)21(24)14-27-22(25)18-4-2-15(3-5-18)16-6-10-19(23)11-7-16/h2-13,23H,14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 362.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7133621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).