2-(2-ethylbutoxy)-5-methylbenzoic acid

C14H20O3 — CID 82926706

IUPAC2-(2-ethylbutoxy)-5-methylbenzoic acid
SMILESCCC(CC)COc1ccc(C)cc1C(=O)O
InChIInChI=1S/C14H20O3/c1-4-11(5-2)9-17-13-7-6-10(3)8-12(13)14(15)16/h6-8,11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyOZXPQKBUFWKSJI-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.51
Rot. Bonds6

About 2-(2-ethylbutoxy)-5-methylbenzoic acid

2-(2-ethylbutoxy)-5-methylbenzoic acid (PubChem CID 82926706) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-ethylbutoxy)-5-methylbenzoic acid
PubChem CID82926706
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2-ethylbutoxy)-5-methylbenzoic acid
SMILESCCC(CC)COc1ccc(C)cc1C(=O)O
InChIInChI=1S/C14H20O3/c1-4-11(5-2)9-17-13-7-6-10(3)8-12(13)14(15)16/h6-8,11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyOZXPQKBUFWKSJI-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yloxy-5-methylbenzoic acid
CID 61379818
5-methyl-2-nonoxybenzoic acid
CID 63463067
2-(2-fluoroethoxy)-5-methylbenzoic acid
CID 51357094
5-amino-2-(2-ethylhexoxy)benzoic acid
CID 54888104
2-(1-ethoxy-1-oxobutan-2-yl)oxy-5-methylbenzoic acid
CID 64662565
2-aminooxy-5-methylbenzoic acid
CID 154678313
2-but-3-ynoxy-5-methylbenzoic acid
CID 61379839
2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
CID 45447311
2-[2-(dimethylamino)-2-methylpropoxy]-5-methylbenzoic acid
CID 79680211
2-[2-(dipropylamino)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379859
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
5-iodo-2-(2-methylbutoxy)benzoic acid
CID 82995336

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)-5-methylbenzoic acid?
The IUPAC name of 2-(2-ethylbutoxy)-5-methylbenzoic acid (CID 82926706) is 2-(2-ethylbutoxy)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2-ethylbutoxy)-5-methylbenzoic acid?
The canonical SMILES for 2-(2-ethylbutoxy)-5-methylbenzoic acid is CCC(CC)COc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-(2-ethylbutoxy)-5-methylbenzoic acid?
The InChIKey is OZXPQKBUFWKSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-11(5-2)9-17-13-7-6-10(3)8-12(13)14(15)16/h6-8,11H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-ethylbutoxy)-5-methylbenzoic acid?
2-(2-ethylbutoxy)-5-methylbenzoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)-5-methylbenzoic acid is sourced from PubChem (CID 82926706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).