CID 89094398

C15H11BO2 — CID 89094398

IUPAC—
SMILES[B]c1ccc2occ(-c3ccc(OC)cc3)c2c1
InChIInChI=1S/C15H11BO2/c1-17-12-5-2-10(3-6-12)14-9-18-15-7-4-11(16)8-13(14)15/h2-9H,1H3
InChIKeyCFQAWWAHZNKFNH-UHFFFAOYSA-N
MW234.06 g/mol
LogP2.90
Rot. Bonds2

About CID 89094398

CID 89094398 (PubChem CID 89094398) has the molecular formula C15H11BO2 and a molecular weight of 234.06 g/mol.

Molecular Properties

Compound NameCID 89094398
PubChem CID89094398
Molecular FormulaC15H11BO2
Molecular Weight234.06 g/mol
Exact Mass234.09
IUPAC Name—
SMILES[B]c1ccc2occ(-c3ccc(OC)cc3)c2c1
InChIInChI=1S/C15H11BO2/c1-17-12-5-2-10(3-6-12)14-9-18-15-7-4-11(16)8-13(14)15/h2-9H,1H3
InChIKeyCFQAWWAHZNKFNH-UHFFFAOYSA-N
XLogP2.90
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 89094377
CID 89094377
5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
2-[[3-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]acetamide
CID 91637457
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 707742
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
3,5-diphenyl-1-benzofuran
CID 66988357
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
CID 88965852
CID 88965852
2-[(3-chlorophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole
CID 68663499
4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol
CID 10780577

Frequently Asked Questions

What is the IUPAC name of CID 89094398?
The IUPAC name of CID 89094398 (CID 89094398) is not available.
What is the SMILES notation for CID 89094398?
The canonical SMILES for CID 89094398 is [B]c1ccc2occ(-c3ccc(OC)cc3)c2c1.
What is the InChIKey of CID 89094398?
The InChIKey is CFQAWWAHZNKFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BO2/c1-17-12-5-2-10(3-6-12)14-9-18-15-7-4-11(16)8-13(14)15/h2-9H,1H3.
What are the key properties of CID 89094398?
CID 89094398 has a molecular weight of 234.06 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89094398 is sourced from PubChem (CID 89094398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).