CID 88884522

C11H14BNO2 — CID 88884522

IUPAC—
SMILES[B]c1cc(C(C)=O)c(OC)c(N(C)C)c1
InChIInChI=1S/C11H14BNO2/c1-7(14)9-5-8(12)6-10(13(2)3)11(9)15-4/h5-6H,1-4H3
InChIKeyWPVWURKUUCUOBI-UHFFFAOYSA-N
MW203.05 g/mol
LogP0.76
Rot. Bonds3

About CID 88884522

CID 88884522 (PubChem CID 88884522) has the molecular formula C11H14BNO2 and a molecular weight of 203.05 g/mol.

Molecular Properties

Compound NameCID 88884522
PubChem CID88884522
Molecular FormulaC11H14BNO2
Molecular Weight203.05 g/mol
Exact Mass203.11
IUPAC Name—
SMILES[B]c1cc(C(C)=O)c(OC)c(N(C)C)c1
InChIInChI=1S/C11H14BNO2/c1-7(14)9-5-8(12)6-10(13(2)3)11(9)15-4/h5-6H,1-4H3
InChIKeyWPVWURKUUCUOBI-UHFFFAOYSA-N
XLogP0.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 50.76
H-Bond Donors ≤ 50
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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1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
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1-(5-amino-2,3-dimethoxyphenyl)ethanone
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1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
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CID 14948663
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CID 84714598
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CID 173049166
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)ethanone
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3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
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CID 84669284

Frequently Asked Questions

What is the IUPAC name of CID 88884522?
The IUPAC name of CID 88884522 (CID 88884522) is not available.
What is the SMILES notation for CID 88884522?
The canonical SMILES for CID 88884522 is [B]c1cc(C(C)=O)c(OC)c(N(C)C)c1.
What is the InChIKey of CID 88884522?
The InChIKey is WPVWURKUUCUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BNO2/c1-7(14)9-5-8(12)6-10(13(2)3)11(9)15-4/h5-6H,1-4H3.
What are the key properties of CID 88884522?
CID 88884522 has a molecular weight of 203.05 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88884522 is sourced from PubChem (CID 88884522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).