sodium 3-(2-methoxyphenyl)propanoate

C10H11NaO3 — CID 141006192

IUPACsodium 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)[O-].[Na+]
InChIInChI=1S/C10H12O3.Na/c1-13-9-5-3-2-4-8(9)6-7-10(11)12;/h2-5H,6-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyOPJQVJQVIUBWKI-UHFFFAOYSA-M
MW202.19 g/mol
LogP-2.62
Rot. Bonds4

About sodium 3-(2-methoxyphenyl)propanoate

sodium 3-(2-methoxyphenyl)propanoate (PubChem CID 141006192) has the molecular formula C10H11NaO3 and a molecular weight of 202.19 g/mol. Its IUPAC name is sodium 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namesodium 3-(2-methoxyphenyl)propanoate
PubChem CID141006192
Molecular FormulaC10H11NaO3
Molecular Weight202.19 g/mol
Exact Mass202.06
IUPAC Namesodium 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)[O-].[Na+]
InChIInChI=1S/C10H12O3.Na/c1-13-9-5-3-2-4-8(9)6-7-10(11)12;/h2-5H,6-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyOPJQVJQVIUBWKI-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 ≤ 500202.19
LogP ≤ 5-2.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
3-[2-[2-(diethylazaniumyl)ethoxy]phenyl]propanoate
CID 42202840
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
2-[ethyl-[(2-methoxyphenyl)methyl]azaniumyl]acetate
CID 39245629
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715

Frequently Asked Questions

What is the IUPAC name of sodium 3-(2-methoxyphenyl)propanoate?
The IUPAC name of sodium 3-(2-methoxyphenyl)propanoate (CID 141006192) is sodium 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for sodium 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for sodium 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(2-methoxyphenyl)propanoate?
The InChIKey is OPJQVJQVIUBWKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O3.Na/c1-13-9-5-3-2-4-8(9)6-7-10(11)12;/h2-5H,6-7H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 3-(2-methoxyphenyl)propanoate?
sodium 3-(2-methoxyphenyl)propanoate has a molecular weight of 202.19 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 sodium 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 141006192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).