2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid

C12H16O3 — CID 57076589

IUPAC2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid
SMILESCCc1c(C(=O)O)cccc1C(C)(C)O
InChIInChI=1S/C12H16O3/c1-4-8-9(11(13)14)6-5-7-10(8)12(2,3)15/h5-7,15H,4H2,1-3H3,(H,13,14)
InChIKeyZHHGTCNKNFYNTP-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.17
Rot. Bonds3

About 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid

2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid (PubChem CID 57076589) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid
PubChem CID57076589
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid
SMILESCCc1c(C(=O)O)cccc1C(C)(C)O
InChIInChI=1S/C12H16O3/c1-4-8-9(11(13)14)6-5-7-10(8)12(2,3)15/h5-7,15H,4H2,1-3H3,(H,13,14)
InChIKeyZHHGTCNKNFYNTP-UHFFFAOYSA-N
XLogP2.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
3-borono-2-ethylbenzoic acid
CID 69482595
2-ethyl-3-fluorobenzoic acid
CID 52911005
3-amino-2-ethylbenzoic acid
CID 18185344
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
2-ethyl-3-iodobenzoic acid
CID 22121847
2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid
CID 21221868
3-(1-aminoethyl)-2-ethylbenzoic acid
CID 55295988
3-ethenyl-2-ethylbenzoic acid
CID 70289721
2-ethyl-3-(ethylcarbamoyl)benzoic acid
CID 169449850
2-(2-sulfanylpropan-2-yl)benzoic acid
CID 91874166

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid?
The IUPAC name of 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid (CID 57076589) is 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid.
What is the SMILES notation for 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid?
The canonical SMILES for 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid is CCc1c(C(=O)O)cccc1C(C)(C)O.
What is the InChIKey of 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid?
The InChIKey is ZHHGTCNKNFYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-8-9(11(13)14)6-5-7-10(8)12(2,3)15/h5-7,15H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid?
2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid is sourced from PubChem (CID 57076589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).