4-decanoyl-2-hydroxybenzoic acid

C17H24O4 — CID 139775580

IUPAC4-decanoyl-2-hydroxybenzoic acid
SMILESCCCCCCCCCC(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-14(17(20)21)16(19)12-13/h10-12,19H,2-9H2,1H3,(H,20,21)
InChIKeyJHNZJHUCMIIKLL-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.41
Rot. Bonds10

About 4-decanoyl-2-hydroxybenzoic acid

4-decanoyl-2-hydroxybenzoic acid (PubChem CID 139775580) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-decanoyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-decanoyl-2-hydroxybenzoic acid
PubChem CID139775580
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name4-decanoyl-2-hydroxybenzoic acid
SMILESCCCCCCCCCC(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-14(17(20)21)16(19)12-13/h10-12,19H,2-9H2,1H3,(H,20,21)
InChIKeyJHNZJHUCMIIKLL-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 ≤ 500292.38
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

1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(3,4,5-trihydroxyphenyl)nonan-1-one
CID 3063200
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
2-carboxy-4-dodecanoylphenolate;hexadecyl(dimethyl)azanium
CID 139744491
docosane;2-hydroxybenzoic acid
CID 161423500
1-phenylheptadecan-1-one
CID 577626

Frequently Asked Questions

What is the IUPAC name of 4-decanoyl-2-hydroxybenzoic acid?
The IUPAC name of 4-decanoyl-2-hydroxybenzoic acid (CID 139775580) is 4-decanoyl-2-hydroxybenzoic acid.
What is the SMILES notation for 4-decanoyl-2-hydroxybenzoic acid?
The canonical SMILES for 4-decanoyl-2-hydroxybenzoic acid is CCCCCCCCCC(=O)c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-decanoyl-2-hydroxybenzoic acid?
The InChIKey is JHNZJHUCMIIKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-14(17(20)21)16(19)12-13/h10-12,19H,2-9H2,1H3,(H,20,21).
What are the key properties of 4-decanoyl-2-hydroxybenzoic acid?
4-decanoyl-2-hydroxybenzoic acid has a molecular weight of 292.38 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 4-decanoyl-2-hydroxybenzoic acid is sourced from PubChem (CID 139775580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).