CID 88929951

C13H11BO — CID 88929951

IUPAC—
SMILES[B]CC(=O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C13H11BO/c1-9-2-3-11-7-12(13(15)8-14)5-4-10(11)6-9/h2-7H,8H2,1H3
InChIKeyXMKCXQZIBDDKMW-UHFFFAOYSA-N
MW194.04 g/mol
LogP2.92
Rot. Bonds2

About CID 88929951

CID 88929951 (PubChem CID 88929951) has the molecular formula C13H11BO and a molecular weight of 194.04 g/mol.

Molecular Properties

Compound NameCID 88929951
PubChem CID88929951
Molecular FormulaC13H11BO
Molecular Weight194.04 g/mol
Exact Mass194.09
IUPAC Name—
SMILES[B]CC(=O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C13H11BO/c1-9-2-3-11-7-12(13(15)8-14)5-4-10(11)6-9/h2-7H,8H2,1H3
InChIKeyXMKCXQZIBDDKMW-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
CID 12698900
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915436
CID 88938269
CID 88938269
3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915455
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
2-methyl-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 13199366
2-(6-methylnaphthalen-2-yl)-2-oxoacetaldehyde
CID 15032601
CID 162413876
CID 162413876
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
3-methyl-4-(6-methylnaphthalen-2-yl)-4-oxobutanoic acid
CID 116918330
(E)-4-(6-methylnaphthalen-2-yl)-4-oxobut-2-enoic acid
CID 6443879
2,6-dimethylnaphthalene;propane
CID 142191183

Frequently Asked Questions

What is the IUPAC name of CID 88929951?
The IUPAC name of CID 88929951 (CID 88929951) is not available.
What is the SMILES notation for CID 88929951?
The canonical SMILES for CID 88929951 is [B]CC(=O)c1ccc2cc(C)ccc2c1.
What is the InChIKey of CID 88929951?
The InChIKey is XMKCXQZIBDDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BO/c1-9-2-3-11-7-12(13(15)8-14)5-4-10(11)6-9/h2-7H,8H2,1H3.
What are the key properties of CID 88929951?
CID 88929951 has a molecular weight of 194.04 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88929951 is sourced from PubChem (CID 88929951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).