phenacyl 2,4,6-trihydroxybenzoate

C15H12O6 — CID 53297893

IUPACphenacyl 2,4,6-trihydroxybenzoate
SMILESO=C(COC(=O)c1c(O)cc(O)cc1O)c1ccccc1
InChIInChI=1S/C15H12O6/c16-10-6-11(17)14(12(18)7-10)15(20)21-8-13(19)9-4-2-1-3-5-9/h1-7,16-18H,8H2
InChIKeyNITZXCABSMXCQA-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.84
Rot. Bonds4

About phenacyl 2,4,6-trihydroxybenzoate

phenacyl 2,4,6-trihydroxybenzoate (PubChem CID 53297893) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is phenacyl 2,4,6-trihydroxybenzoate.

Molecular Properties

Compound Namephenacyl 2,4,6-trihydroxybenzoate
PubChem CID53297893
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Namephenacyl 2,4,6-trihydroxybenzoate
SMILESO=C(COC(=O)c1c(O)cc(O)cc1O)c1ccccc1
InChIInChI=1S/C15H12O6/c16-10-6-11(17)14(12(18)7-10)15(20)21-8-13(19)9-4-2-1-3-5-9/h1-7,16-18H,8H2
InChIKeyNITZXCABSMXCQA-UHFFFAOYSA-N
XLogP1.84
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

phenacyl anthracene-9-carboxylate
CID 3297262
phenacyl 4-aminobenzoate
CID 781350
phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate
CID 134120107
phenacyl 2-sulfanylbenzoate
CID 135032600
2-phenacyloxy-1-phenylethanone
CID 12781821
phenacyl 3-(dimethylamino)benzoate
CID 624872
phenacyl 5-(5-phenacyloxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 2508211
[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8676496
phenacyl 2-phenylmethoxybenzoate
CID 2565163
phenacyl 3-bromo-4-methylbenzoate
CID 882326
phenacyl 5-bromopyridine-3-carboxylate
CID 2586792
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530

Frequently Asked Questions

What is the IUPAC name of phenacyl 2,4,6-trihydroxybenzoate?
The IUPAC name of phenacyl 2,4,6-trihydroxybenzoate (CID 53297893) is phenacyl 2,4,6-trihydroxybenzoate.
What is the SMILES notation for phenacyl 2,4,6-trihydroxybenzoate?
The canonical SMILES for phenacyl 2,4,6-trihydroxybenzoate is O=C(COC(=O)c1c(O)cc(O)cc1O)c1ccccc1.
What is the InChIKey of phenacyl 2,4,6-trihydroxybenzoate?
The InChIKey is NITZXCABSMXCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c16-10-6-11(17)14(12(18)7-10)15(20)21-8-13(19)9-4-2-1-3-5-9/h1-7,16-18H,8H2.
What are the key properties of phenacyl 2,4,6-trihydroxybenzoate?
phenacyl 2,4,6-trihydroxybenzoate has a molecular weight of 288.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2,4,6-trihydroxybenzoate is sourced from PubChem (CID 53297893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).