3-decanoyl-2-hydroxybenzoic acid

C17H24O4 — CID 54281458

IUPAC3-decanoyl-2-hydroxybenzoic acid
SMILESCCCCCCCCCC(=O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-12-15(18)13-10-9-11-14(16(13)19)17(20)21/h9-11,19H,2-8,12H2,1H3,(H,20,21)
InChIKeyRRBLITRAQRWHJL-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.41
Rot. Bonds10

About 3-decanoyl-2-hydroxybenzoic acid

3-decanoyl-2-hydroxybenzoic acid (PubChem CID 54281458) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is 3-decanoyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-decanoyl-2-hydroxybenzoic acid
PubChem CID54281458
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name3-decanoyl-2-hydroxybenzoic acid
SMILESCCCCCCCCCC(=O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-12-15(18)13-10-9-11-14(16(13)19)17(20)21/h9-11,19H,2-8,12H2,1H3,(H,20,21)
InChIKeyRRBLITRAQRWHJL-UHFFFAOYSA-N
XLogP4.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.41
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

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CID 104832987
3-heptyl-2-hydroxybenzoic acid
CID 67845198
decane;phthalic acid
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1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
2-hydroxy-3-triacontoxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-decanoyl-2-hydroxybenzoic acid?
The IUPAC name of 3-decanoyl-2-hydroxybenzoic acid (CID 54281458) is 3-decanoyl-2-hydroxybenzoic acid.
What is the SMILES notation for 3-decanoyl-2-hydroxybenzoic acid?
The canonical SMILES for 3-decanoyl-2-hydroxybenzoic acid is CCCCCCCCCC(=O)c1cccc(C(=O)O)c1O.
What is the InChIKey of 3-decanoyl-2-hydroxybenzoic acid?
The InChIKey is RRBLITRAQRWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-12-15(18)13-10-9-11-14(16(13)19)17(20)21/h9-11,19H,2-8,12H2,1H3,(H,20,21).
What are the key properties of 3-decanoyl-2-hydroxybenzoic acid?
3-decanoyl-2-hydroxybenzoic acid has a molecular weight of 292.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyl-2-hydroxybenzoic acid is sourced from PubChem (CID 54281458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).