CID 87204341

C15H15BO5P — CID 87204341

IUPAC—
SMILESCOP(=O)(O)CC1O[B]c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C15H15BO5P/c1-19-22(17,18)10-15-13-8-7-12(9-14(13)16-21-15)20-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyGLKBGTUCXJFIHT-UHFFFAOYSA-N
MW317.07 g/mol
LogP2.63
Rot. Bonds5

About CID 87204341

CID 87204341 (PubChem CID 87204341) has the molecular formula C15H15BO5P and a molecular weight of 317.07 g/mol.

Molecular Properties

Compound NameCID 87204341
PubChem CID87204341
Molecular FormulaC15H15BO5P
Molecular Weight317.07 g/mol
Exact Mass317.08
IUPAC Name—
SMILESCOP(=O)(O)CC1O[B]c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C15H15BO5P/c1-19-22(17,18)10-15-13-8-7-12(9-14(13)16-21-15)20-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyGLKBGTUCXJFIHT-UHFFFAOYSA-N
XLogP2.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.07
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1,3-bis(4-methoxyphenoxy)benzene
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dideuterio-(3-phenoxyphenyl)methanol
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chlorophosphonic acid;1-methyl-4-phenoxybenzene
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1-diethylphosphoryl-4-phenoxybenzene
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1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
[3-(4-methylphenoxy)phenyl] dihydrogen phosphate
CID 19105360
2,3-dimethylbutane-2,3-diol;(3-phenoxyphenyl)boronic acid
CID 138393559
3-methoxy-2-(3-phenoxyanilino)propanoic acid
CID 103243354
3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 54322707

Frequently Asked Questions

What is the IUPAC name of CID 87204341?
The IUPAC name of CID 87204341 (CID 87204341) is not available.
What is the SMILES notation for CID 87204341?
The canonical SMILES for CID 87204341 is COP(=O)(O)CC1O[B]c2cc(Oc3ccccc3)ccc21.
What is the InChIKey of CID 87204341?
The InChIKey is GLKBGTUCXJFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO5P/c1-19-22(17,18)10-15-13-8-7-12(9-14(13)16-21-15)20-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,17,18).
What are the key properties of CID 87204341?
CID 87204341 has a molecular weight of 317.07 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87204341 is sourced from PubChem (CID 87204341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).