3-butyl-2-hydroxybenzoic acid

C11H14O3 — CID 18681512

IUPAC3-butyl-2-hydroxybenzoic acid
SMILESCCCCc1cccc(C(=O)O)c1O
InChIInChI=1S/C11H14O3/c1-2-3-5-8-6-4-7-9(10(8)12)11(13)14/h4,6-7,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyDCARPOVHBQKEJV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.43
Rot. Bonds4

About 3-butyl-2-hydroxybenzoic acid

3-butyl-2-hydroxybenzoic acid (PubChem CID 18681512) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-butyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-butyl-2-hydroxybenzoic acid
PubChem CID18681512
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-butyl-2-hydroxybenzoic acid
SMILESCCCCc1cccc(C(=O)O)c1O
InChIInChI=1S/C11H14O3/c1-2-3-5-8-6-4-7-9(10(8)12)11(13)14/h4,6-7,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyDCARPOVHBQKEJV-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-heptyl-2-hydroxybenzoic acid
CID 67845198
calcium;2-hydroxy-3-nonylbenzoic acid;3-nonyl-2-oxidobenzoate
CID 101311166
3-(3-ethylheptyl)-2-hydroxybenzoic acid
CID 70566395
azane;2-butylbenzoic acid
CID 174819524
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
3-butylphthalic acid;hydrate
CID 174841186
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
3-butyl-2-carbamoylbenzoic acid
CID 20544630
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
4-dodecyl-2,3-dihydroxybenzoic acid
CID 21475788
3-butyl-2-nitrobenzoic acid
CID 68623625
2-butoxy-3-butylbenzoic acid
CID 22223226

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-hydroxybenzoic acid?
The IUPAC name of 3-butyl-2-hydroxybenzoic acid (CID 18681512) is 3-butyl-2-hydroxybenzoic acid.
What is the SMILES notation for 3-butyl-2-hydroxybenzoic acid?
The canonical SMILES for 3-butyl-2-hydroxybenzoic acid is CCCCc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-butyl-2-hydroxybenzoic acid?
The InChIKey is DCARPOVHBQKEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-5-8-6-4-7-9(10(8)12)11(13)14/h4,6-7,12H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 3-butyl-2-hydroxybenzoic acid?
3-butyl-2-hydroxybenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-hydroxybenzoic acid is sourced from PubChem (CID 18681512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).