CID 87419221

C17H19BO2 — CID 87419221

IUPAC—
SMILES[B]c1ccc(CCOC2CCCCO2)c2ccccc12
InChIInChI=1S/C17H19BO2/c18-16-9-8-13(14-5-1-2-6-15(14)16)10-12-20-17-7-3-4-11-19-17/h1-2,5-6,8-9,17H,3-4,7,10-12H2
InChIKeyQFKIAZMZZKSZBL-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.72
Rot. Bonds4

About CID 87419221

CID 87419221 (PubChem CID 87419221) has the molecular formula C17H19BO2 and a molecular weight of 266.15 g/mol.

Molecular Properties

Compound NameCID 87419221
PubChem CID87419221
Molecular FormulaC17H19BO2
Molecular Weight266.15 g/mol
Exact Mass266.15
IUPAC Name—
SMILES[B]c1ccc(CCOC2CCCCO2)c2ccccc12
InChIInChI=1S/C17H19BO2/c18-16-9-8-13(14-5-1-2-6-15(14)16)10-12-20-17-7-3-4-11-19-17/h1-2,5-6,8-9,17H,3-4,7,10-12H2
InChIKeyQFKIAZMZZKSZBL-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.72
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

[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
CID 23152918
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-(2-phenoxyethoxy)oxane
CID 11736193
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
2-(3-trityloxypropoxy)oxane
CID 101461782
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
CID 170630411
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
CID 59665437

Frequently Asked Questions

What is the IUPAC name of CID 87419221?
The IUPAC name of CID 87419221 (CID 87419221) is not available.
What is the SMILES notation for CID 87419221?
The canonical SMILES for CID 87419221 is [B]c1ccc(CCOC2CCCCO2)c2ccccc12.
What is the InChIKey of CID 87419221?
The InChIKey is QFKIAZMZZKSZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BO2/c18-16-9-8-13(14-5-1-2-6-15(14)16)10-12-20-17-7-3-4-11-19-17/h1-2,5-6,8-9,17H,3-4,7,10-12H2.
What are the key properties of CID 87419221?
CID 87419221 has a molecular weight of 266.15 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87419221 is sourced from PubChem (CID 87419221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).