2-carboxyphenolate;tetracosyl 2-hydroxybenzoate

C38H59O6- — CID 54696522

IUPAC2-carboxyphenolate;tetracosyl 2-hydroxybenzoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C31H54O3.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-34-31(33)29-26-23-24-27-30(29)32;8-6-4-2-1-3-5(6)7(9)10/h23-24,26-27,32H,2-22,25,28H2,1H3;1-4,8H,(H,9,10)/p-1
InChIKeyICCUZCVHAXQUIN-UHFFFAOYSA-M
MW611.88 g/mol
LogP10.61
Rot. Bonds25

About 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate

2-carboxyphenolate;tetracosyl 2-hydroxybenzoate (PubChem CID 54696522) has the molecular formula C38H59O6- and a molecular weight of 611.88 g/mol. Its IUPAC name is 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-carboxyphenolate;tetracosyl 2-hydroxybenzoate
PubChem CID54696522
Molecular FormulaC38H59O6-
Molecular Weight611.88 g/mol
Exact Mass611.43
IUPAC Name2-carboxyphenolate;tetracosyl 2-hydroxybenzoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C31H54O3.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-34-31(33)29-26-23-24-27-30(29)32;8-6-4-2-1-3-5(6)7(9)10/h23-24,26-27,32H,2-22,25,28H2,1H3;1-4,8H,(H,9,10)/p-1
InChIKeyICCUZCVHAXQUIN-UHFFFAOYSA-M
XLogP10.61
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.88
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carboxyphenolate;hexacosyl 2-hydroxybenzoate
CID 54696520
docosyl 2-hydroxybenzoate;2-hydroxybenzoic acid
CID 67727649
icosyl 2-hydroxybenzoate
CID 19044963
hexyl 2-hydroxybenzoate
CID 22629
hexacosyl 2-hydroxybenzoate
CID 19044965
sodium;hydride;octadecyl 2-hydroxybenzoate
CID 174913846
calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965
hexadecyl 2-hydroxybenzoate;pyridine
CID 70399762
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
benzene;ditridecyl benzene-1,2-dicarboxylate
CID 141316421
ethene;2-octoxycarbonylbenzoic acid
CID 157320546

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate?
The IUPAC name of 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate (CID 54696522) is 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate.
What is the SMILES notation for 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate?
The canonical SMILES for 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate is CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.O=C(O)c1ccccc1[O-].
What is the InChIKey of 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate?
The InChIKey is ICCUZCVHAXQUIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H54O3.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-34-31(33)29-26-23-24-27-30(29)32;8-6-4-2-1-3-5(6)7(9)10/h23-24,26-27,32H,2-22,25,28H2,1H3;1-4,8H,(H,9,10)/p-1.
What are the key properties of 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate?
2-carboxyphenolate;tetracosyl 2-hydroxybenzoate has a molecular weight of 611.88 g/mol, XLogP of 10.61, 25 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;tetracosyl 2-hydroxybenzoate is sourced from PubChem (CID 54696522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).