(2-phenylphenoxy)carbonylsulfonylformic acid

C14H10O6S — CID 54171746

IUPAC(2-phenylphenoxy)carbonylsulfonylformic acid
SMILESO=C(O)S(=O)(=O)C(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C14H10O6S/c15-13(16)21(18,19)14(17)20-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKeyOVNAERFBIATASV-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.95
Rot. Bonds2

About (2-phenylphenoxy)carbonylsulfonylformic acid

(2-phenylphenoxy)carbonylsulfonylformic acid (PubChem CID 54171746) has the molecular formula C14H10O6S and a molecular weight of 306.30 g/mol. Its IUPAC name is (2-phenylphenoxy)carbonylsulfonylformic acid.

Molecular Properties

Compound Name(2-phenylphenoxy)carbonylsulfonylformic acid
PubChem CID54171746
Molecular FormulaC14H10O6S
Molecular Weight306.30 g/mol
Exact Mass306.02
IUPAC Name(2-phenylphenoxy)carbonylsulfonylformic acid
SMILESO=C(O)S(=O)(=O)C(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C14H10O6S/c15-13(16)21(18,19)14(17)20-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKeyOVNAERFBIATASV-UHFFFAOYSA-N
XLogP2.95
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
2-Biphenylyl Sulfate Potassium Salt
CID 171369906
(2-phenylphenyl) dimethylphosphorylformate
CID 122645320
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
diazulen-1-yl butanedioate
CID 91384946
cyclopentyl (2-phenylphenyl) carbonate
CID 121311469
(2-phenylphenyl) N-anilinocarbamate
CID 151770788
(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
CID 66879164
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
(2-phenylphenyl) 5-bromopyridine-3-carboxylate
CID 2402613
(2-phenylphenyl) hex-2-ynoate
CID 70487563
(2-phenylphenyl) 2-bromobenzenesulfonate
CID 26946686

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenoxy)carbonylsulfonylformic acid?
The IUPAC name of (2-phenylphenoxy)carbonylsulfonylformic acid (CID 54171746) is (2-phenylphenoxy)carbonylsulfonylformic acid.
What is the SMILES notation for (2-phenylphenoxy)carbonylsulfonylformic acid?
The canonical SMILES for (2-phenylphenoxy)carbonylsulfonylformic acid is O=C(O)S(=O)(=O)C(=O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenoxy)carbonylsulfonylformic acid?
The InChIKey is OVNAERFBIATASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6S/c15-13(16)21(18,19)14(17)20-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,15,16).
What are the key properties of (2-phenylphenoxy)carbonylsulfonylformic acid?
(2-phenylphenoxy)carbonylsulfonylformic acid has a molecular weight of 306.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenoxy)carbonylsulfonylformic acid is sourced from PubChem (CID 54171746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).