2-methoxy-5-propoxybenzoic acid

C11H14O4 — CID 82265622

IUPAC2-methoxy-5-propoxybenzoic acid
SMILESCCCOc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C11H14O4/c1-3-6-15-8-4-5-10(14-2)9(7-8)11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyLMVUVFOPEDCFDY-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.18
Rot. Bonds5

About 2-methoxy-5-propoxybenzoic acid

2-methoxy-5-propoxybenzoic acid (PubChem CID 82265622) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methoxy-5-propoxybenzoic acid.

Molecular Properties

Compound Name2-methoxy-5-propoxybenzoic acid
PubChem CID82265622
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-methoxy-5-propoxybenzoic acid
SMILESCCCOc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C11H14O4/c1-3-6-15-8-4-5-10(14-2)9(7-8)11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyLMVUVFOPEDCFDY-UHFFFAOYSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-propoxybenzoic acid
CID 12719187
2-butoxy-5-methoxybenzoic acid
CID 43213162
2,5-didodecoxybenzoic acid
CID 168826367
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-5-heptoxybenzoic acid
CID 54888058
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-(4-carboxyphenoxy)-2-methoxybenzoic acid
CID 162997010
5-iodo-2-propoxybenzoic acid
CID 10804556

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propoxybenzoic acid?
The IUPAC name of 2-methoxy-5-propoxybenzoic acid (CID 82265622) is 2-methoxy-5-propoxybenzoic acid.
What is the SMILES notation for 2-methoxy-5-propoxybenzoic acid?
The canonical SMILES for 2-methoxy-5-propoxybenzoic acid is CCCOc1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-propoxybenzoic acid?
The InChIKey is LMVUVFOPEDCFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-6-15-8-4-5-10(14-2)9(7-8)11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 2-methoxy-5-propoxybenzoic acid?
2-methoxy-5-propoxybenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propoxybenzoic acid is sourced from PubChem (CID 82265622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).