CID 89064299

C10H7BO2 — CID 89064299

IUPAC—
SMILES[B]c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C10H7BO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3
InChIKeyWFTBSDPXEGFJMO-UHFFFAOYSA-N
MW169.98 g/mol
LogP0.90
Rot. Bonds

About CID 89064299

CID 89064299 (PubChem CID 89064299) has the molecular formula C10H7BO2 and a molecular weight of 169.98 g/mol.

Molecular Properties

Compound NameCID 89064299
PubChem CID89064299
Molecular FormulaC10H7BO2
Molecular Weight169.98 g/mol
Exact Mass170.05
IUPAC Name—
SMILES[B]c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C10H7BO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3
InChIKeyWFTBSDPXEGFJMO-UHFFFAOYSA-N
XLogP0.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.98
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-4-methylchromen-2-one
CID 5160585
7-isocyano-4-methylchromen-2-one
CID 12971176
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
4-methyl-7-nitrosochromen-2-one
CID 122373464
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
4-methyl-7-methylsulfinylchromen-2-one
CID 162642075
7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
CID 102278578
potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide
CID 170902365
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
ethene-1,1,2,2-tetracarbonitrile;7-hydroxy-4-methylchromen-2-one
CID 18475292
7-amino-4-methylchromen-2-one;formyl chloride
CID 175535632

Frequently Asked Questions

What is the IUPAC name of CID 89064299?
The IUPAC name of CID 89064299 (CID 89064299) is not available.
What is the SMILES notation for CID 89064299?
The canonical SMILES for CID 89064299 is [B]c1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of CID 89064299?
The InChIKey is WFTBSDPXEGFJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3.
What are the key properties of CID 89064299?
CID 89064299 has a molecular weight of 169.98 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89064299 is sourced from PubChem (CID 89064299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).