CID 88969762

C8H8BNO2 — CID 88969762

IUPAC—
SMILES[B]c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C8H8BNO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeySGSZFYLPFHYQTF-UHFFFAOYSA-N
MW160.97 g/mol
LogP-0.66
Rot. Bonds3

About CID 88969762

CID 88969762 (PubChem CID 88969762) has the molecular formula C8H8BNO2 and a molecular weight of 160.97 g/mol.

Molecular Properties

Compound NameCID 88969762
PubChem CID88969762
Molecular FormulaC8H8BNO2
Molecular Weight160.97 g/mol
Exact Mass161.06
IUPAC Name—
SMILES[B]c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C8H8BNO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeySGSZFYLPFHYQTF-UHFFFAOYSA-N
XLogP-0.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.97
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenoxy)acetamide
CID 22974475
2-(4-prop-2-enoxyphenoxy)acetamide
CID 3608594
potassium;hydride;2-phenoxyacetamide
CID 175513799
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
2-[4-(2-hydroxypropan-2-yl)phenoxy]acetamide
CID 177146694
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
2-(4-pyrimidin-5-ylphenoxy)acetamide
CID 154238696
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873

Frequently Asked Questions

What is the IUPAC name of CID 88969762?
The IUPAC name of CID 88969762 (CID 88969762) is not available.
What is the SMILES notation for CID 88969762?
The canonical SMILES for CID 88969762 is [B]c1ccc(OCC(N)=O)cc1.
What is the InChIKey of CID 88969762?
The InChIKey is SGSZFYLPFHYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BNO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11).
What are the key properties of CID 88969762?
CID 88969762 has a molecular weight of 160.97 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88969762 is sourced from PubChem (CID 88969762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).