CID 89033326

C24H29BO4 — CID 89033326

IUPAC—
SMILES[B]C(C(=O)OCC(C)COC(=O)CC(C)c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C24H29BO4/c1-17(15-28-22(26)14-18(2)20-10-6-4-7-11-20)16-29-24(27)23(25)19(3)21-12-8-5-9-13-21/h4-13,17-19,23H,14-16H2,1-3H3
InChIKeyLONJQGILDMJKQB-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.66
Rot. Bonds10

About CID 89033326

CID 89033326 (PubChem CID 89033326) has the molecular formula C24H29BO4 and a molecular weight of 392.30 g/mol.

Molecular Properties

Compound NameCID 89033326
PubChem CID89033326
Molecular FormulaC24H29BO4
Molecular Weight392.30 g/mol
Exact Mass392.22
IUPAC Name—
SMILES[B]C(C(=O)OCC(C)COC(=O)CC(C)c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C24H29BO4/c1-17(15-28-22(26)14-18(2)20-10-6-4-7-11-20)16-29-24(27)23(25)19(3)21-12-8-5-9-13-21/h4-13,17-19,23H,14-16H2,1-3H3
InChIKeyLONJQGILDMJKQB-UHFFFAOYSA-N
XLogP4.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropyl] 3-phenylbutanoate
CID 59464454
2-phenylpropyl 2-methylpropanoate
CID 576240
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
ethenyl (3R)-3-phenylbutanoate
CID 10487918
2-[(2-methylpropan-2-yl)oxy]ethyl 3-phenylbutanoate
CID 160511208
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2R)-2-phenylpropyl] carbamate
CID 175384997
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
(3-carbamoylphenyl) 3-phenylbutanoate
CID 87014037
(3S)-3-phenylbutanoate
CID 6950118

Frequently Asked Questions

What is the IUPAC name of CID 89033326?
The IUPAC name of CID 89033326 (CID 89033326) is not available.
What is the SMILES notation for CID 89033326?
The canonical SMILES for CID 89033326 is [B]C(C(=O)OCC(C)COC(=O)CC(C)c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of CID 89033326?
The InChIKey is LONJQGILDMJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BO4/c1-17(15-28-22(26)14-18(2)20-10-6-4-7-11-20)16-29-24(27)23(25)19(3)21-12-8-5-9-13-21/h4-13,17-19,23H,14-16H2,1-3H3.
What are the key properties of CID 89033326?
CID 89033326 has a molecular weight of 392.30 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89033326 is sourced from PubChem (CID 89033326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).