methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate

C27H20O5 — CID 56850366

IUPACmethyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)c2ccccc2-c2cccc(O)c2)ccc1-c1cccc(O)c1
InChIInChI=1S/C27H20O5/c1-32-27(31)25-16-19(12-13-23(25)18-7-5-9-21(29)15-18)26(30)24-11-3-2-10-22(24)17-6-4-8-20(28)14-17/h2-16,28-29H,1H3
InChIKeyXHWPRKVTIKROLG-UHFFFAOYSA-N
MW424.45 g/mol
LogP5.45
Rot. Bonds5

About methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate

methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate (PubChem CID 56850366) has the molecular formula C27H20O5 and a molecular weight of 424.45 g/mol. Its IUPAC name is methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate
PubChem CID56850366
Molecular FormulaC27H20O5
Molecular Weight424.45 g/mol
Exact Mass424.13
IUPAC Namemethyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)c2ccccc2-c2cccc(O)c2)ccc1-c1cccc(O)c1
InChIInChI=1S/C27H20O5/c1-32-27(31)25-16-19(12-13-23(25)18-7-5-9-21(29)15-18)26(30)24-11-3-2-10-22(24)17-6-4-8-20(28)14-17/h2-16,28-29H,1H3
InChIKeyXHWPRKVTIKROLG-UHFFFAOYSA-N
XLogP5.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate?
The IUPAC name of methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate (CID 56850366) is methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate.
What is the SMILES notation for methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate?
The canonical SMILES for methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate is COC(=O)c1cc(C(=O)c2ccccc2-c2cccc(O)c2)ccc1-c1cccc(O)c1.
What is the InChIKey of methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate?
The InChIKey is XHWPRKVTIKROLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O5/c1-32-27(31)25-16-19(12-13-23(25)18-7-5-9-21(29)15-18)26(30)24-11-3-2-10-22(24)17-6-4-8-20(28)14-17/h2-16,28-29H,1H3.
What are the key properties of methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate?
methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate has a molecular weight of 424.45 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate is sourced from PubChem (CID 56850366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).