CID 156807715

C14H21BFO4 — CID 156807715

IUPAC—
SMILESCOc1ccc([B]OC(C)(C)C(C)(C)O)c(F)c1OC
InChIInChI=1S/C14H21BFO4/c1-13(2,17)14(3,4)20-15-9-7-8-10(18-5)12(19-6)11(9)16/h7-8,17H,1-6H3
InChIKeyJYBJCBVXTYKSLJ-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.65
Rot. Bonds6

About CID 156807715

CID 156807715 (PubChem CID 156807715) has the molecular formula C14H21BFO4 and a molecular weight of 283.13 g/mol.

Molecular Properties

Compound NameCID 156807715
PubChem CID156807715
Molecular FormulaC14H21BFO4
Molecular Weight283.13 g/mol
Exact Mass283.15
IUPAC Name—
SMILESCOc1ccc([B]OC(C)(C)C(C)(C)O)c(F)c1OC
InChIInChI=1S/C14H21BFO4/c1-13(2,17)14(3,4)20-15-9-7-8-10(18-5)12(19-6)11(9)16/h7-8,17H,1-6H3
InChIKeyJYBJCBVXTYKSLJ-UHFFFAOYSA-N
XLogP1.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156807715?
The IUPAC name of CID 156807715 (CID 156807715) is not available.
What is the SMILES notation for CID 156807715?
The canonical SMILES for CID 156807715 is COc1ccc([B]OC(C)(C)C(C)(C)O)c(F)c1OC.
What is the InChIKey of CID 156807715?
The InChIKey is JYBJCBVXTYKSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BFO4/c1-13(2,17)14(3,4)20-15-9-7-8-10(18-5)12(19-6)11(9)16/h7-8,17H,1-6H3.
What are the key properties of CID 156807715?
CID 156807715 has a molecular weight of 283.13 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156807715 is sourced from PubChem (CID 156807715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).