CID 58624123

C17H15BNO4 — CID 58624123

IUPAC—
SMILESCOC(=O)[B]NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15BNO4/c1-22-16(20)18-19-17(21)23-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyRLDNWJUIWVPFGE-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.91
Rot. Bonds4

About CID 58624123

CID 58624123 (PubChem CID 58624123) has the molecular formula C17H15BNO4 and a molecular weight of 308.12 g/mol.

Molecular Properties

Compound NameCID 58624123
PubChem CID58624123
Molecular FormulaC17H15BNO4
Molecular Weight308.12 g/mol
Exact Mass308.11
IUPAC Name—
SMILESCOC(=O)[B]NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15BNO4/c1-22-16(20)18-19-17(21)23-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyRLDNWJUIWVPFGE-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluoren-9-ylmethyl N-iodocarbamate
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CID 23080809
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
CID 15339929
CID 101120722
CID 101120722
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
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9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
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methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
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Frequently Asked Questions

What is the IUPAC name of CID 58624123?
The IUPAC name of CID 58624123 (CID 58624123) is not available.
What is the SMILES notation for CID 58624123?
The canonical SMILES for CID 58624123 is COC(=O)[B]NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of CID 58624123?
The InChIKey is RLDNWJUIWVPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BNO4/c1-22-16(20)18-19-17(21)23-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10H2,1H3,(H,19,21).
What are the key properties of CID 58624123?
CID 58624123 has a molecular weight of 308.12 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58624123 is sourced from PubChem (CID 58624123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).