potassium 3-(4-methoxyphenyl)propanoate

C10H11KO3 — CID 146050841

IUPACpotassium 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)[O-])cc1.[K+]
InChIInChI=1S/C10H12O3.K/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-3,5-6H,4,7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyVSLAFKAOJGQFPE-UHFFFAOYSA-M
MW218.29 g/mol
LogP-2.62
Rot. Bonds4

About potassium 3-(4-methoxyphenyl)propanoate

potassium 3-(4-methoxyphenyl)propanoate (PubChem CID 146050841) has the molecular formula C10H11KO3 and a molecular weight of 218.29 g/mol. Its IUPAC name is potassium 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namepotassium 3-(4-methoxyphenyl)propanoate
PubChem CID146050841
Molecular FormulaC10H11KO3
Molecular Weight218.29 g/mol
Exact Mass218.03
IUPAC Namepotassium 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)[O-])cc1.[K+]
InChIInChI=1S/C10H12O3.K/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-3,5-6H,4,7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyVSLAFKAOJGQFPE-UHFFFAOYSA-M
XLogP-2.62
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 5-2.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-diazo-1-(4-methoxyphenyl)pentan-3-one
CID 85408653
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
5-(4-methoxyphenyl)pentanamide
CID 134389506
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
CID 166438923
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365

Frequently Asked Questions

What is the IUPAC name of potassium 3-(4-methoxyphenyl)propanoate?
The IUPAC name of potassium 3-(4-methoxyphenyl)propanoate (CID 146050841) is potassium 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for potassium 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for potassium 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 3-(4-methoxyphenyl)propanoate?
The InChIKey is VSLAFKAOJGQFPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O3.K/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-3,5-6H,4,7H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 3-(4-methoxyphenyl)propanoate?
potassium 3-(4-methoxyphenyl)propanoate has a molecular weight of 218.29 g/mol, XLogP of -2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 146050841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).