CID 91526706

C18H26BO2 — CID 91526706

IUPAC—
SMILESCC.CC.COc1ccc([B]c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14BO2.2C2H6/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyFUZJEHNOLKPCGX-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.41
Rot. Bonds4

About CID 91526706

CID 91526706 (PubChem CID 91526706) has the molecular formula C18H26BO2 and a molecular weight of 285.22 g/mol.

Molecular Properties

Compound NameCID 91526706
PubChem CID91526706
Molecular FormulaC18H26BO2
Molecular Weight285.22 g/mol
Exact Mass285.20
IUPAC Name—
SMILESCC.CC.COc1ccc([B]c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14BO2.2C2H6/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyFUZJEHNOLKPCGX-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.41
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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CID 54213217
1-(bromomethylselanyl)-4-methoxybenzene
CID 15584664
[4-(4-methoxyphenoxy)phenyl]borane
CID 88897158
CID 12607295
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(4-methoxyphenyl)silane
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Frequently Asked Questions

What is the IUPAC name of CID 91526706?
The IUPAC name of CID 91526706 (CID 91526706) is not available.
What is the SMILES notation for CID 91526706?
The canonical SMILES for CID 91526706 is CC.CC.COc1ccc([B]c2ccc(OC)cc2)cc1.
What is the InChIKey of CID 91526706?
The InChIKey is FUZJEHNOLKPCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BO2.2C2H6/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of CID 91526706?
CID 91526706 has a molecular weight of 285.22 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91526706 is sourced from PubChem (CID 91526706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).