2,6-bis(2-methylpropoxy)benzoic acid

C15H22O4 — CID 15219087

IUPAC2,6-bis(2-methylpropoxy)benzoic acid
SMILESCC(C)COc1cccc(OCC(C)C)c1C(=O)O
InChIInChI=1S/C15H22O4/c1-10(2)8-18-12-6-5-7-13(14(12)15(16)17)19-9-11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,16,17)
InChIKeyHNJAKAXPTAFOHF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.45
Rot. Bonds7

About 2,6-bis(2-methylpropoxy)benzoic acid

2,6-bis(2-methylpropoxy)benzoic acid (PubChem CID 15219087) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,6-bis(2-methylpropoxy)benzoic acid.

Molecular Properties

Compound Name2,6-bis(2-methylpropoxy)benzoic acid
PubChem CID15219087
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2,6-bis(2-methylpropoxy)benzoic acid
SMILESCC(C)COc1cccc(OCC(C)C)c1C(=O)O
InChIInChI=1S/C15H22O4/c1-10(2)8-18-12-6-5-7-13(14(12)15(16)17)19-9-11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,16,17)
InChIKeyHNJAKAXPTAFOHF-UHFFFAOYSA-N
XLogP3.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
2-bromo-6-(2-methylpentoxy)benzoic acid
CID 103285847
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
3-[2-methoxy-3-(2-methylpropoxy)phenyl]-2-oxopropanoic acid
CID 82161293
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157
5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid
CID 46703349
5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
CID 167136873
2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990
sulfanyl 2-(2-methylpropoxy)benzoate
CID 166873129
2,6-dimethyl-4-(2-methylpropoxy)benzoic acid
CID 59820032

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylpropoxy)benzoic acid?
The IUPAC name of 2,6-bis(2-methylpropoxy)benzoic acid (CID 15219087) is 2,6-bis(2-methylpropoxy)benzoic acid.
What is the SMILES notation for 2,6-bis(2-methylpropoxy)benzoic acid?
The canonical SMILES for 2,6-bis(2-methylpropoxy)benzoic acid is CC(C)COc1cccc(OCC(C)C)c1C(=O)O.
What is the InChIKey of 2,6-bis(2-methylpropoxy)benzoic acid?
The InChIKey is HNJAKAXPTAFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)8-18-12-6-5-7-13(14(12)15(16)17)19-9-11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2,6-bis(2-methylpropoxy)benzoic acid?
2,6-bis(2-methylpropoxy)benzoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylpropoxy)benzoic acid is sourced from PubChem (CID 15219087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).