potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate

C20H19KO3S — CID 66562491

IUPACpotassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate
SMILESCC(C)(C)OC(C(=O)[O-])c1c(-c2ccccc2)sc2ccccc12.[K+]
InChIInChI=1S/C20H20O3S.K/c1-20(2,3)23-17(19(21)22)16-14-11-7-8-12-15(14)24-18(16)13-9-5-4-6-10-13;/h4-12,17H,1-3H3,(H,21,22);/q;+1/p-1
InChIKeyRDZBRVZJKPGCQU-UHFFFAOYSA-M
MW378.53 g/mol
LogP1.18
Rot. Bonds4

About potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate

potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate (PubChem CID 66562491) has the molecular formula C20H19KO3S and a molecular weight of 378.53 g/mol. Its IUPAC name is potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate.

Molecular Properties

Compound Namepotassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate
PubChem CID66562491
Molecular FormulaC20H19KO3S
Molecular Weight378.53 g/mol
Exact Mass378.07
IUPAC Namepotassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate
SMILESCC(C)(C)OC(C(=O)[O-])c1c(-c2ccccc2)sc2ccccc12.[K+]
InChIInChI=1S/C20H20O3S.K/c1-20(2,3)23-17(19(21)22)16-14-11-7-8-12-15(14)24-18(16)13-9-5-4-6-10-13;/h4-12,17H,1-3H3,(H,21,22);/q;+1/p-1
InChIKeyRDZBRVZJKPGCQU-UHFFFAOYSA-M
XLogP1.18
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate?
The IUPAC name of potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate (CID 66562491) is potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate.
What is the SMILES notation for potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate?
The canonical SMILES for potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate is CC(C)(C)OC(C(=O)[O-])c1c(-c2ccccc2)sc2ccccc12.[K+].
What is the InChIKey of potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate?
The InChIKey is RDZBRVZJKPGCQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20O3S.K/c1-20(2,3)23-17(19(21)22)16-14-11-7-8-12-15(14)24-18(16)13-9-5-4-6-10-13;/h4-12,17H,1-3H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate?
potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate has a molecular weight of 378.53 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetate is sourced from PubChem (CID 66562491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).