4-(4-hydroxybutoxy)benzoic acid

C11H14O4 — CID 15218596

IUPAC4-(4-hydroxybutoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCCCO)cc1
InChIInChI=1S/C11H14O4/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h3-6,12H,1-2,7-8H2,(H,13,14)
InChIKeyBCKHIISQSLMSEW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.54
Rot. Bonds6

About 4-(4-hydroxybutoxy)benzoic acid

4-(4-hydroxybutoxy)benzoic acid (PubChem CID 15218596) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(4-hydroxybutoxy)benzoic acid.

Molecular Properties

Compound Name4-(4-hydroxybutoxy)benzoic acid
PubChem CID15218596
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-(4-hydroxybutoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCCCO)cc1
InChIInChI=1S/C11H14O4/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h3-6,12H,1-2,7-8H2,(H,13,14)
InChIKeyBCKHIISQSLMSEW-UHFFFAOYSA-N
XLogP1.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
2-[4-(12-hydroxydodecoxy)phenyl]pyrimidine-5-carboxylic acid
CID 101149310
ethane;4-octoxybenzoic acid
CID 144740890
4-(11-amino-11-oxoundecoxy)benzoic acid
CID 141366511
[4-[4-[4-(6-hydroxyhexoxy)benzoyl]oxyphenoxy]carbonylphenyl] 4-(6-hydroxyhexoxy)benzoate
CID 164936549
4-(4-formyloxybutoxy)benzoic acid
CID 143677137
4-(16-oxohexadecoxy)benzoic acid
CID 87286293
4-[10-[10-(10-bromodecoxy)decoxy]decoxy]benzoic acid
CID 86092221
2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
CID 126733121
4-[2-[4-(2-hydroxyethoxy)phenoxy]ethoxycarbonyl]benzoic acid
CID 57119637

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutoxy)benzoic acid?
The IUPAC name of 4-(4-hydroxybutoxy)benzoic acid (CID 15218596) is 4-(4-hydroxybutoxy)benzoic acid.
What is the SMILES notation for 4-(4-hydroxybutoxy)benzoic acid?
The canonical SMILES for 4-(4-hydroxybutoxy)benzoic acid is O=C(O)c1ccc(OCCCCO)cc1.
What is the InChIKey of 4-(4-hydroxybutoxy)benzoic acid?
The InChIKey is BCKHIISQSLMSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h3-6,12H,1-2,7-8H2,(H,13,14).
What are the key properties of 4-(4-hydroxybutoxy)benzoic acid?
4-(4-hydroxybutoxy)benzoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutoxy)benzoic acid is sourced from PubChem (CID 15218596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).