3-ethoxy-4-methoxybenzoate

C10H11O4- — CID 7020473

IUPAC3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)[O-])ccc1OC
InChIInChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)/p-1
InChIKeyDMSAIFTWQMXOBE-UHFFFAOYSA-M
MW195.19 g/mol
LogP0.46
Rot. Bonds4

About 3-ethoxy-4-methoxybenzoate

3-ethoxy-4-methoxybenzoate (PubChem CID 7020473) has the molecular formula C10H11O4- and a molecular weight of 195.19 g/mol. Its IUPAC name is 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Name3-ethoxy-4-methoxybenzoate
PubChem CID7020473
Molecular FormulaC10H11O4-
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)[O-])ccc1OC
InChIInChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)/p-1
InChIKeyDMSAIFTWQMXOBE-UHFFFAOYSA-M
XLogP0.46
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
4-[[(3-ethoxy-4-methoxyphenyl)methylazaniumyl]methyl]benzoate
CID 7311658
3-chloro-4-ethoxybenzoate
CID 6927202
3-[2-(dimethylazaniumyl)ethoxy]-4-methoxybenzoate
CID 42180813
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
ethyl 2-(3-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 91657232
4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxybenzoate
CID 42338947
bis(3,4-diethoxyphenyl)methanone
CID 135325793
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
1,4-bis(4-ethoxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
CID 85391342
3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate
CID 42230796
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxybenzoate?
The IUPAC name of 3-ethoxy-4-methoxybenzoate (CID 7020473) is 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for 3-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)[O-])ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxybenzoate?
The InChIKey is DMSAIFTWQMXOBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 3-ethoxy-4-methoxybenzoate?
3-ethoxy-4-methoxybenzoate has a molecular weight of 195.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 7020473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).