CID 163958367

C13H11BO — CID 163958367

IUPAC—
SMILES[B]Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H11BO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyOJNPEKNMUZRLPM-UHFFFAOYSA-N
MW194.04 g/mol
LogP3.15
Rot. Bonds3

About CID 163958367

CID 163958367 (PubChem CID 163958367) has the molecular formula C13H11BO and a molecular weight of 194.04 g/mol.

Molecular Properties

Compound NameCID 163958367
PubChem CID163958367
Molecular FormulaC13H11BO
Molecular Weight194.04 g/mol
Exact Mass194.09
IUPAC Name—
SMILES[B]Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H11BO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyOJNPEKNMUZRLPM-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3-phenoxyphenyl)methylphosphane
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CID 173282204
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine
CID 70077436
1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171

Frequently Asked Questions

What is the IUPAC name of CID 163958367?
The IUPAC name of CID 163958367 (CID 163958367) is not available.
What is the SMILES notation for CID 163958367?
The canonical SMILES for CID 163958367 is [B]Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of CID 163958367?
The InChIKey is OJNPEKNMUZRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of CID 163958367?
CID 163958367 has a molecular weight of 194.04 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163958367 is sourced from PubChem (CID 163958367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).