CID 71286694

C13H10BO3 — CID 71286694

IUPAC—
SMILESOc1ccccc1Oc1ccc2c(c1)CO[B]2
InChIInChI=1S/C13H10BO3/c15-12-3-1-2-4-13(12)17-10-5-6-11-9(7-10)8-16-14-11/h1-7,15H,8H2
InChIKeyUCBRKPDWPBBCKY-UHFFFAOYSA-N
MW225.03 g/mol
LogP1.96
Rot. Bonds2

About CID 71286694

CID 71286694 (PubChem CID 71286694) has the molecular formula C13H10BO3 and a molecular weight of 225.03 g/mol.

Molecular Properties

Compound NameCID 71286694
PubChem CID71286694
Molecular FormulaC13H10BO3
Molecular Weight225.03 g/mol
Exact Mass225.07
IUPAC Name—
SMILESOc1ccccc1Oc1ccc2c(c1)CO[B]2
InChIInChI=1S/C13H10BO3/c15-12-3-1-2-4-13(12)17-10-5-6-11-9(7-10)8-16-14-11/h1-7,15H,8H2
InChIKeyUCBRKPDWPBBCKY-UHFFFAOYSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 51.96
H-Bond Donors ≤ 51
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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CID 139940614
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2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
4-(2-hydroxyphenoxy)benzaldehyde
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Frequently Asked Questions

What is the IUPAC name of CID 71286694?
The IUPAC name of CID 71286694 (CID 71286694) is not available.
What is the SMILES notation for CID 71286694?
The canonical SMILES for CID 71286694 is Oc1ccccc1Oc1ccc2c(c1)CO[B]2.
What is the InChIKey of CID 71286694?
The InChIKey is UCBRKPDWPBBCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BO3/c15-12-3-1-2-4-13(12)17-10-5-6-11-9(7-10)8-16-14-11/h1-7,15H,8H2.
What are the key properties of CID 71286694?
CID 71286694 has a molecular weight of 225.03 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71286694 is sourced from PubChem (CID 71286694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).