CID 87157759

C14H16BFO3 — CID 87157759

IUPAC—
SMILES[B][C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@@]1(C)F
InChIInChI=1S/C14H16BFO3/c1-14(16)11(15)8-17-10-7-18-13(19-12(10)14)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12?,13-,14+/m1/s1
InChIKeyYCAHRQRDJQESMW-DUJLVANISA-N
MW262.09 g/mol
LogP2.18
Rot. Bonds1

About CID 87157759

CID 87157759 (PubChem CID 87157759) has the molecular formula C14H16BFO3 and a molecular weight of 262.09 g/mol.

Molecular Properties

Compound NameCID 87157759
PubChem CID87157759
Molecular FormulaC14H16BFO3
Molecular Weight262.09 g/mol
Exact Mass262.12
IUPAC Name—
SMILES[B][C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@@]1(C)F
InChIInChI=1S/C14H16BFO3/c1-14(16)11(15)8-17-10-7-18-13(19-12(10)14)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12?,13-,14+/m1/s1
InChIKeyYCAHRQRDJQESMW-DUJLVANISA-N
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(1R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 144720661
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
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CID 102478742
(2R,4R,5R,7R,10R)-5-methyl-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 118103900
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 4094030
(4aR,6R,7S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-7-phenylmethoxy-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
CID 14864651
8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 67045674
(1S,7S)-4,7-dimethyl-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 58607175
(2R,4aR,7S,8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 58060719

Frequently Asked Questions

What is the IUPAC name of CID 87157759?
The IUPAC name of CID 87157759 (CID 87157759) is not available.
What is the SMILES notation for CID 87157759?
The canonical SMILES for CID 87157759 is [B][C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@@]1(C)F.
What is the InChIKey of CID 87157759?
The InChIKey is YCAHRQRDJQESMW-DUJLVANISA-N. The full InChI is InChI=1S/C14H16BFO3/c1-14(16)11(15)8-17-10-7-18-13(19-12(10)14)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12?,13-,14+/m1/s1.
What are the key properties of CID 87157759?
CID 87157759 has a molecular weight of 262.09 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87157759 is sourced from PubChem (CID 87157759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).