CID 88941720

C16H18B2O2 — CID 88941720

IUPAC—
SMILES[B]c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C16H18B2O2/c1-15(2)16(3,4)20-18(19-15)14-8-6-11-9-13(17)7-5-12(11)10-14/h5-10H,1-4H3
InChIKeyWFESLLQKRONAPG-UHFFFAOYSA-N
MW263.94 g/mol
LogP1.93
Rot. Bonds1

About CID 88941720

CID 88941720 (PubChem CID 88941720) has the molecular formula C16H18B2O2 and a molecular weight of 263.94 g/mol.

Molecular Properties

Compound NameCID 88941720
PubChem CID88941720
Molecular FormulaC16H18B2O2
Molecular Weight263.94 g/mol
Exact Mass264.15
IUPAC Name—
SMILES[B]c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C16H18B2O2/c1-15(2)16(3,4)20-18(19-15)14-8-6-11-9-13(17)7-5-12(11)10-14/h5-10H,1-4H3
InChIKeyWFESLLQKRONAPG-UHFFFAOYSA-N
XLogP1.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.94
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4,4,5,5-tetramethyl-2-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
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2-(6-cyclopropyloxynaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)chromen-2-one
CID 46781076
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole
CID 151324899
4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
CID 53217133
[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate
CID 91484895
4,4,5,5-tetramethyl-2-(8-naphthalen-1-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 176598706
4,4,5,5-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
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Frequently Asked Questions

What is the IUPAC name of CID 88941720?
The IUPAC name of CID 88941720 (CID 88941720) is not available.
What is the SMILES notation for CID 88941720?
The canonical SMILES for CID 88941720 is [B]c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1.
What is the InChIKey of CID 88941720?
The InChIKey is WFESLLQKRONAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18B2O2/c1-15(2)16(3,4)20-18(19-15)14-8-6-11-9-13(17)7-5-12(11)10-14/h5-10H,1-4H3.
What are the key properties of CID 88941720?
CID 88941720 has a molecular weight of 263.94 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88941720 is sourced from PubChem (CID 88941720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).