4-butan-2-yl-2-hydroxybenzoic acid

C11H14O3 — CID 54169876

IUPAC4-butan-2-yl-2-hydroxybenzoic acid
SMILESCCC(C)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H14O3/c1-3-7(2)8-4-5-9(11(13)14)10(12)6-8/h4-7,12H,3H2,1-2H3,(H,13,14)
InChIKeyWRIPSOPAYPBWOW-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.60
Rot. Bonds3

About 4-butan-2-yl-2-hydroxybenzoic acid

4-butan-2-yl-2-hydroxybenzoic acid (PubChem CID 54169876) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-butan-2-yl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-butan-2-yl-2-hydroxybenzoic acid
PubChem CID54169876
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-butan-2-yl-2-hydroxybenzoic acid
SMILESCCC(C)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H14O3/c1-3-7(2)8-4-5-9(11(13)14)10(12)6-8/h4-7,12H,3H2,1-2H3,(H,13,14)
InChIKeyWRIPSOPAYPBWOW-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

2-hydroxy-4-pentan-3-ylbenzoic acid
CID 126760292
4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 90075851
magnesium;2,4-di(butan-2-yl)benzoic acid;hydride
CID 174681297
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
5-butan-2-yl-2-butan-2-yloxybenzoic acid
CID 67568010
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
2-butan-2-yl-3-(2-butan-2-yl-3-carboxy-6-hydroxyphenyl)sulfonyl-4-hydroxybenzoic acid
CID 70358840
2-butan-2-yl-3-hydroxybenzoic acid
CID 67715219
4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586554

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-hydroxybenzoic acid?
The IUPAC name of 4-butan-2-yl-2-hydroxybenzoic acid (CID 54169876) is 4-butan-2-yl-2-hydroxybenzoic acid.
What is the SMILES notation for 4-butan-2-yl-2-hydroxybenzoic acid?
The canonical SMILES for 4-butan-2-yl-2-hydroxybenzoic acid is CCC(C)c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-butan-2-yl-2-hydroxybenzoic acid?
The InChIKey is WRIPSOPAYPBWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-7(2)8-4-5-9(11(13)14)10(12)6-8/h4-7,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-butan-2-yl-2-hydroxybenzoic acid?
4-butan-2-yl-2-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 4-butan-2-yl-2-hydroxybenzoic acid is sourced from PubChem (CID 54169876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).