CID 89225791

C14H9BO — CID 89225791

IUPAC—
SMILES[B]c1ccc2c(c1)C(=O)c1ccccc1C2
InChIInChI=1S/C14H9BO/c15-11-6-5-10-7-9-3-1-2-4-12(9)14(16)13(10)8-11/h1-6,8H,7H2
InChIKeyBROBMWSXEYPYDI-UHFFFAOYSA-N
MW204.04 g/mol
LogP1.62
Rot. Bonds

About CID 89225791

CID 89225791 (PubChem CID 89225791) has the molecular formula C14H9BO and a molecular weight of 204.04 g/mol.

Molecular Properties

Compound NameCID 89225791
PubChem CID89225791
Molecular FormulaC14H9BO
Molecular Weight204.04 g/mol
Exact Mass204.07
IUPAC Name—
SMILES[B]c1ccc2c(c1)C(=O)c1ccccc1C2
InChIInChI=1S/C14H9BO/c15-11-6-5-10-7-9-3-1-2-4-12(9)14(16)13(10)8-11/h1-6,8H,7H2
InChIKeyBROBMWSXEYPYDI-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 51.62
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

10H-anthracen-9-one;fluoren-9-one
CID 67642372
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
10H-anthracen-9-one;ethane;methanol
CID 90976205
2,3-ditert-butyl-10H-anthracen-9-one
CID 58769690
2-naphthalen-2-yl-10H-anthracen-9-one
CID 141288908
9H-fluorene;oxophosphane
CID 174601741
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
12,13-dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-dione
CID 10101903
2-(1,2-diphenylethyl)-10H-anthracen-9-one
CID 145451035
5,12-dihydronaphtho[3,2-b]acridine-7,14-dione
CID 59787127
5-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22337735
(2E)-2-(aminomethylidene)-3H-inden-1-one
CID 3037167

Frequently Asked Questions

What is the IUPAC name of CID 89225791?
The IUPAC name of CID 89225791 (CID 89225791) is not available.
What is the SMILES notation for CID 89225791?
The canonical SMILES for CID 89225791 is [B]c1ccc2c(c1)C(=O)c1ccccc1C2.
What is the InChIKey of CID 89225791?
The InChIKey is BROBMWSXEYPYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BO/c15-11-6-5-10-7-9-3-1-2-4-12(9)14(16)13(10)8-11/h1-6,8H,7H2.
What are the key properties of CID 89225791?
CID 89225791 has a molecular weight of 204.04 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89225791 is sourced from PubChem (CID 89225791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).