3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid

C14H18O5 — CID 14207576

IUPAC3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid
SMILESCCCOc1cc(CC)c(C(=O)OC)c(C(=O)O)c1
InChIInChI=1S/C14H18O5/c1-4-6-19-10-7-9(5-2)12(14(17)18-3)11(8-10)13(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyPCERWVOFHSJVAG-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.52
Rot. Bonds6

About 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid

3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid (PubChem CID 14207576) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid.

Molecular Properties

Compound Name3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid
PubChem CID14207576
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid
SMILESCCCOc1cc(CC)c(C(=O)OC)c(C(=O)O)c1
InChIInChI=1S/C14H18O5/c1-4-6-19-10-7-9(5-2)12(14(17)18-3)11(8-10)13(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyPCERWVOFHSJVAG-UHFFFAOYSA-N
XLogP2.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hexadecoxy-3-methoxycarbonyl-2-methylbenzoic acid
CID 67507592
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-amino-5-propoxybenzoic acid
CID 12719187
methyl 2-methyl-4-pentoxy-6-propylbenzoate
CID 143015435
5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
CID 14207577
methyl 2-bromo-4,6-dibutoxybenzoate
CID 70859460
3-ethyl-2-fluoro-5-methoxybenzoic acid
CID 123425084
2-(3-propoxyanilino)benzoic acid
CID 154130973
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
methyl 5-iodo-2-propoxybenzoate
CID 69136629
2-chloro-1-(2-ethyl-4-propoxyphenyl)ethanone
CID 82267367
methyl 3,5-di(nonoxy)benzoate
CID 69305989

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid?
The IUPAC name of 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid (CID 14207576) is 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid.
What is the SMILES notation for 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid?
The canonical SMILES for 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid is CCCOc1cc(CC)c(C(=O)OC)c(C(=O)O)c1.
What is the InChIKey of 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid?
The InChIKey is PCERWVOFHSJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-6-19-10-7-9(5-2)12(14(17)18-3)11(8-10)13(15)16/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid?
3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxycarbonyl-5-propoxybenzoic acid is sourced from PubChem (CID 14207576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).