2-methoxy-3-(2-methylpropoxy)benzoic acid

C12H16O4 — CID 82161609

IUPAC2-methoxy-3-(2-methylpropoxy)benzoic acid
SMILESCOc1c(OCC(C)C)cccc1C(=O)O
InChIInChI=1S/C12H16O4/c1-8(2)7-16-10-6-4-5-9(12(13)14)11(10)15-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyBYKYMZHCSYVCIV-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.43
Rot. Bonds5

About 2-methoxy-3-(2-methylpropoxy)benzoic acid

2-methoxy-3-(2-methylpropoxy)benzoic acid (PubChem CID 82161609) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methoxy-3-(2-methylpropoxy)benzoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-methylpropoxy)benzoic acid
PubChem CID82161609
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-methoxy-3-(2-methylpropoxy)benzoic acid
SMILESCOc1c(OCC(C)C)cccc1C(=O)O
InChIInChI=1S/C12H16O4/c1-8(2)7-16-10-6-4-5-9(12(13)14)11(10)15-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyBYKYMZHCSYVCIV-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-2-methoxybenzoic acid
CID 82161610
3-[2-methoxy-3-(2-methylpropoxy)phenyl]-2-oxopropanoic acid
CID 82161293
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
3-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61483895
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol
CID 82161152
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61379229
CID 175079027
CID 175079027

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methylpropoxy)benzoic acid?
The IUPAC name of 2-methoxy-3-(2-methylpropoxy)benzoic acid (CID 82161609) is 2-methoxy-3-(2-methylpropoxy)benzoic acid.
What is the SMILES notation for 2-methoxy-3-(2-methylpropoxy)benzoic acid?
The canonical SMILES for 2-methoxy-3-(2-methylpropoxy)benzoic acid is COc1c(OCC(C)C)cccc1C(=O)O.
What is the InChIKey of 2-methoxy-3-(2-methylpropoxy)benzoic acid?
The InChIKey is BYKYMZHCSYVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(2)7-16-10-6-4-5-9(12(13)14)11(10)15-3/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-methoxy-3-(2-methylpropoxy)benzoic acid?
2-methoxy-3-(2-methylpropoxy)benzoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methylpropoxy)benzoic acid is sourced from PubChem (CID 82161609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).