2-butan-2-yl-3-hydroxybenzoic acid

C11H14O3 — CID 67715219

IUPAC2-butan-2-yl-3-hydroxybenzoic acid
SMILESCCC(C)c1c(O)cccc1C(=O)O
InChIInChI=1S/C11H14O3/c1-3-7(2)10-8(11(13)14)5-4-6-9(10)12/h4-7,12H,3H2,1-2H3,(H,13,14)
InChIKeyIVEXKJCSHBMOIT-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.60
Rot. Bonds3

About 2-butan-2-yl-3-hydroxybenzoic acid

2-butan-2-yl-3-hydroxybenzoic acid (PubChem CID 67715219) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-butan-2-yl-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-butan-2-yl-3-hydroxybenzoic acid
PubChem CID67715219
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-butan-2-yl-3-hydroxybenzoic acid
SMILESCCC(C)c1c(O)cccc1C(=O)O
InChIInChI=1S/C11H14O3/c1-3-7(2)10-8(11(13)14)5-4-6-9(10)12/h4-7,12H,3H2,1-2H3,(H,13,14)
InChIKeyIVEXKJCSHBMOIT-UHFFFAOYSA-N
XLogP2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2-butan-2-yl-3-(2-butan-2-yl-3-carboxy-6-hydroxyphenyl)sulfonyl-4-hydroxybenzoic acid
CID 70358840
2-butan-2-ylbenzene-1,3-dicarbonyl chloride
CID 139767662
4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
2-(1-aminopropyl)-3-fluorobenzoic acid
CID 55271295
3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948
2-butan-2-yl-6-carbamoylbenzoic acid
CID 174916256
2-butan-2-yl-1,3-benzoxazole-4-carboxylic acid
CID 81358885
2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid
CID 19021133
2-tridecan-7-ylbenzene-1,3-dicarboxylic acid
CID 174717737
3-methyl-2-(1,2,3-trihydroxypropyl)benzoic acid
CID 170818131

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-hydroxybenzoic acid?
The IUPAC name of 2-butan-2-yl-3-hydroxybenzoic acid (CID 67715219) is 2-butan-2-yl-3-hydroxybenzoic acid.
What is the SMILES notation for 2-butan-2-yl-3-hydroxybenzoic acid?
The canonical SMILES for 2-butan-2-yl-3-hydroxybenzoic acid is CCC(C)c1c(O)cccc1C(=O)O.
What is the InChIKey of 2-butan-2-yl-3-hydroxybenzoic acid?
The InChIKey is IVEXKJCSHBMOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-7(2)10-8(11(13)14)5-4-6-9(10)12/h4-7,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-butan-2-yl-3-hydroxybenzoic acid?
2-butan-2-yl-3-hydroxybenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-hydroxybenzoic acid is sourced from PubChem (CID 67715219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).