[3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate

C15H12O7S — CID 57325067

IUPAC[3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate
SMILESCOc1cc(O)ccc1C(=O)c1cccc(S(=O)(=O)OC=O)c1
InChIInChI=1S/C15H12O7S/c1-21-14-8-11(17)5-6-13(14)15(18)10-3-2-4-12(7-10)23(19,20)22-9-16/h2-9,17H,1H3
InChIKeyOPDKACAGSAWELK-UHFFFAOYSA-N
MW336.32 g/mol
LogP1.49
Rot. Bonds6

About [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate

[3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate (PubChem CID 57325067) has the molecular formula C15H12O7S and a molecular weight of 336.32 g/mol. Its IUPAC name is [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate.

Molecular Properties

Compound Name[3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate
PubChem CID57325067
Molecular FormulaC15H12O7S
Molecular Weight336.32 g/mol
Exact Mass336.03
IUPAC Name[3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate
SMILESCOc1cc(O)ccc1C(=O)c1cccc(S(=O)(=O)OC=O)c1
InChIInChI=1S/C15H12O7S/c1-21-14-8-11(17)5-6-13(14)15(18)10-3-2-4-12(7-10)23(19,20)22-9-16/h2-9,17H,1H3
InChIKeyOPDKACAGSAWELK-UHFFFAOYSA-N
XLogP1.49
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate?
The IUPAC name of [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate (CID 57325067) is [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate.
What is the SMILES notation for [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate?
The canonical SMILES for [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate is COc1cc(O)ccc1C(=O)c1cccc(S(=O)(=O)OC=O)c1.
What is the InChIKey of [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate?
The InChIKey is OPDKACAGSAWELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O7S/c1-21-14-8-11(17)5-6-13(14)15(18)10-3-2-4-12(7-10)23(19,20)22-9-16/h2-9,17H,1H3.
What are the key properties of [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate?
[3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate has a molecular weight of 336.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate is sourced from PubChem (CID 57325067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).