hexadecyl 2-hydroxybenzoate;pyridine

C28H43NO3 — CID 70399762

IUPAChexadecyl 2-hydroxybenzoate;pyridine
SMILESCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.c1ccncc1
InChIInChI=1S/C23H38O3.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-23(25)21-18-15-16-19-22(21)24;1-2-4-6-5-3-1/h15-16,18-19,24H,2-14,17,20H2,1H3;1-5H
InChIKeyOGTCXCGCJLKUAJ-UHFFFAOYSA-N
MW441.66 g/mol
LogP8.11
Rot. Bonds16

About hexadecyl 2-hydroxybenzoate;pyridine

hexadecyl 2-hydroxybenzoate;pyridine (PubChem CID 70399762) has the molecular formula C28H43NO3 and a molecular weight of 441.66 g/mol. Its IUPAC name is hexadecyl 2-hydroxybenzoate;pyridine.

Molecular Properties

Compound Namehexadecyl 2-hydroxybenzoate;pyridine
PubChem CID70399762
Molecular FormulaC28H43NO3
Molecular Weight441.66 g/mol
Exact Mass441.32
IUPAC Namehexadecyl 2-hydroxybenzoate;pyridine
SMILESCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.c1ccncc1
InChIInChI=1S/C23H38O3.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-23(25)21-18-15-16-19-22(21)24;1-2-4-6-5-3-1/h15-16,18-19,24H,2-14,17,20H2,1H3;1-5H
InChIKeyOGTCXCGCJLKUAJ-UHFFFAOYSA-N
XLogP8.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

icosyl 2-hydroxybenzoate
CID 19044963
hexyl 2-hydroxybenzoate
CID 22629
hexacosyl 2-hydroxybenzoate
CID 19044965
docosyl 2-hydroxybenzoate;2-hydroxybenzoic acid
CID 67727649
sodium;hydride;octadecyl 2-hydroxybenzoate
CID 174913846
calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965
2-carboxyphenolate;tetracosyl 2-hydroxybenzoate
CID 54696522
2-carboxyphenolate;hexacosyl 2-hydroxybenzoate
CID 54696520
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
benzene;ditridecyl benzene-1,2-dicarboxylate
CID 141316421
benzene;dioctyl benzene-1,2-dicarboxylate;zinc
CID 174864297

Frequently Asked Questions

What is the IUPAC name of hexadecyl 2-hydroxybenzoate;pyridine?
The IUPAC name of hexadecyl 2-hydroxybenzoate;pyridine (CID 70399762) is hexadecyl 2-hydroxybenzoate;pyridine.
What is the SMILES notation for hexadecyl 2-hydroxybenzoate;pyridine?
The canonical SMILES for hexadecyl 2-hydroxybenzoate;pyridine is CCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.c1ccncc1.
What is the InChIKey of hexadecyl 2-hydroxybenzoate;pyridine?
The InChIKey is OGTCXCGCJLKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O3.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-23(25)21-18-15-16-19-22(21)24;1-2-4-6-5-3-1/h15-16,18-19,24H,2-14,17,20H2,1H3;1-5H.
What are the key properties of hexadecyl 2-hydroxybenzoate;pyridine?
hexadecyl 2-hydroxybenzoate;pyridine has a molecular weight of 441.66 g/mol, XLogP of 8.11, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl 2-hydroxybenzoate;pyridine is sourced from PubChem (CID 70399762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).