ethyl phenyl sulfate

C8H10O4S — CID 564974

IUPACethyl phenyl sulfate
SMILESCCOS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C8H10O4S/c1-2-11-13(9,10)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyPFJCGWXJUOZSJT-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.35
Rot. Bonds4

About ethyl phenyl sulfate

ethyl phenyl sulfate (PubChem CID 564974) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is ethyl phenyl sulfate.

Molecular Properties

Compound Nameethyl phenyl sulfate
PubChem CID564974
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Nameethyl phenyl sulfate
SMILESCCOS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C8H10O4S/c1-2-11-13(9,10)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyPFJCGWXJUOZSJT-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenolate Sodium
CID 4445035
Hydron phenoxide
CID 20488062
Phenol sulfate
CID 74426
Dibutyl phenyl phosphate
CID 17312
Phenyl ethenesulfonate
CID 564920
Phenyl Methanesulfonate
CID 316170
Dietholate
CID 36106
Phenylsulfamate
CID 11030308
Potassium phenoxide
CID 23670670
Phenoxyarsonous acid
CID 44395086
Potassium phenyl sulfate
CID 23678854
Triethylphenoxystannane
CID 16682829

Frequently Asked Questions

What is the IUPAC name of ethyl phenyl sulfate?
The IUPAC name of ethyl phenyl sulfate (CID 564974) is ethyl phenyl sulfate.
What is the SMILES notation for ethyl phenyl sulfate?
The canonical SMILES for ethyl phenyl sulfate is CCOS(=O)(=O)Oc1ccccc1.
What is the InChIKey of ethyl phenyl sulfate?
The InChIKey is PFJCGWXJUOZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-2-11-13(9,10)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl phenyl sulfate?
ethyl phenyl sulfate has a molecular weight of 202.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl phenyl sulfate is sourced from PubChem (CID 564974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).