CID 174402343

C24H32BO2 — CID 174402343

IUPAC—
SMILESCCCCCC(CC)OC(=O)[C@]([B]c1ccccc1)(CC)c1ccccc1
InChIInChI=1S/C24H32BO2/c1-4-7-10-19-22(5-2)27-23(26)24(6-3,20-15-11-8-12-16-20)25-21-17-13-9-14-18-21/h8-9,11-18,22H,4-7,10,19H2,1-3H3/t22?,24-/m0/s1
InChIKeyBXDHWKANYOKHMN-GITCGBDTSA-N
MW363.33 g/mol
LogP5.22
Rot. Bonds11

About CID 174402343

CID 174402343 (PubChem CID 174402343) has the molecular formula C24H32BO2 and a molecular weight of 363.33 g/mol.

Molecular Properties

Compound NameCID 174402343
PubChem CID174402343
Molecular FormulaC24H32BO2
Molecular Weight363.33 g/mol
Exact Mass363.25
IUPAC Name—
SMILESCCCCCC(CC)OC(=O)[C@]([B]c1ccccc1)(CC)c1ccccc1
InChIInChI=1S/C24H32BO2/c1-4-7-10-19-22(5-2)27-23(26)24(6-3,20-15-11-8-12-16-20)25-21-17-13-9-14-18-21/h8-9,11-18,22H,4-7,10,19H2,1-3H3/t22?,24-/m0/s1
InChIKeyBXDHWKANYOKHMN-GITCGBDTSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.33
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 174402343 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

octan-3-yl 2-benzyl-3-hydroxy-2-phenylpropanoate
CID 142578407
octan-3-yl 2-[(3-chlorophenyl)methyl]-3-hydroxy-2-phenylpropanoate
CID 175036101
octan-3-yl benzoate
CID 12820016
dinonan-3-yl benzene-1,2-dicarboxylate
CID 66874656
2,3-diethyl-2-phenyloctanoic acid
CID 175036838
pentadecan-3-yl 2,2,2-trifluoroacetate
CID 534406
tridecan-3-yl 2-phenylsulfanylacetate
CID 531678
octan-3-yl 2-methyl-3-phenylprop-2-enoate
CID 141377253
octan-3-yl 3-amino-2-phenylpropanoate;dihydrochloride
CID 175184426
henicosan-3-yl hydrogen carbonate
CID 87300438
1-phenylnonan-4-yl hydrogen carbonate
CID 67178650
octan-3-yl 2-aminobenzoate
CID 135329802

Frequently Asked Questions

What is the IUPAC name of CID 174402343?
The IUPAC name of CID 174402343 (CID 174402343) is not available.
What is the SMILES notation for CID 174402343?
The canonical SMILES for CID 174402343 is CCCCCC(CC)OC(=O)[C@]([B]c1ccccc1)(CC)c1ccccc1.
What is the InChIKey of CID 174402343?
The InChIKey is BXDHWKANYOKHMN-GITCGBDTSA-N. The full InChI is InChI=1S/C24H32BO2/c1-4-7-10-19-22(5-2)27-23(26)24(6-3,20-15-11-8-12-16-20)25-21-17-13-9-14-18-21/h8-9,11-18,22H,4-7,10,19H2,1-3H3/t22?,24-/m0/s1.
What are the key properties of CID 174402343?
CID 174402343 has a molecular weight of 363.33 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174402343 is sourced from PubChem (CID 174402343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).