4-butyl-2-hydroxybenzoic acid

C11H14O3 — CID 14895249

IUPAC4-butyl-2-hydroxybenzoic acid
SMILESCCCCc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H14O3/c1-2-3-4-8-5-6-9(11(13)14)10(12)7-8/h5-7,12H,2-4H2,1H3,(H,13,14)
InChIKeyFXMJAQWRFWJXBK-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.43
Rot. Bonds4

About 4-butyl-2-hydroxybenzoic acid

4-butyl-2-hydroxybenzoic acid (PubChem CID 14895249) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-butyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-butyl-2-hydroxybenzoic acid
PubChem CID14895249
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-butyl-2-hydroxybenzoic acid
SMILESCCCCc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H14O3/c1-2-3-4-8-5-6-9(11(13)14)10(12)7-8/h5-7,12H,2-4H2,1H3,(H,13,14)
InChIKeyFXMJAQWRFWJXBK-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

calcium;2-hydroxy-4-tetradecylbenzoic acid;2-oxido-4-tetradecylbenzoate
CID 101311350
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
4-[2-[3-[2-(4-carboxy-3-hydroxyphenyl)ethyl]-5-hydroxyphenyl]ethyl]-2-hydroxybenzoic acid
CID 171715379
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715325
5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 154396008
4-hexadecyl-2-methylbenzoic acid
CID 57019926
2-bromo-4-pentylbenzoic acid
CID 15327817
2-fluoro-4-nonylbenzoic acid
CID 57292315
(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
CID 23069369
4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 172619009
sodium 2-carboxy-5-hexylphenolate
CID 101311048
sodium 2-carboxy-5-tetradecylphenolate
CID 101311329

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-hydroxybenzoic acid?
The IUPAC name of 4-butyl-2-hydroxybenzoic acid (CID 14895249) is 4-butyl-2-hydroxybenzoic acid.
What is the SMILES notation for 4-butyl-2-hydroxybenzoic acid?
The canonical SMILES for 4-butyl-2-hydroxybenzoic acid is CCCCc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-butyl-2-hydroxybenzoic acid?
The InChIKey is FXMJAQWRFWJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-4-8-5-6-9(11(13)14)10(12)7-8/h5-7,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-butyl-2-hydroxybenzoic acid?
4-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 4-butyl-2-hydroxybenzoic acid is sourced from PubChem (CID 14895249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).