CID 156725408

C9H7BO — CID 156725408

IUPAC—
SMILES[B]Cc1cc2ccccc2o1
InChIInChI=1S/C9H7BO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKeyMVZZAOQBUJDUEB-UHFFFAOYSA-N
MW141.97 g/mol
LogP2.10
Rot. Bonds1

About CID 156725408

CID 156725408 (PubChem CID 156725408) has the molecular formula C9H7BO and a molecular weight of 141.97 g/mol.

Molecular Properties

Compound NameCID 156725408
PubChem CID156725408
Molecular FormulaC9H7BO
Molecular Weight141.97 g/mol
Exact Mass142.06
IUPAC Name—
SMILES[B]Cc1cc2ccccc2o1
InChIInChI=1S/C9H7BO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKeyMVZZAOQBUJDUEB-UHFFFAOYSA-N
XLogP2.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.97
LogP ≤ 52.10
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-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
N-(1-benzofuran-2-ylmethoxy)methanimine
CID 174418937
1-benzofuran-2-ylmethyl formate
CID 18617223
2-decyl-1-benzofuran
CID 15365265
(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537
(3-aminochromen-2-ylidene)azanium
CID 171053524
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
1-(1-benzofuran-2-yl)propan-2-imine
CID 91044336
4-(1-benzofuran-2-yl)butane-1,2-diol
CID 102166190

Frequently Asked Questions

What is the IUPAC name of CID 156725408?
The IUPAC name of CID 156725408 (CID 156725408) is not available.
What is the SMILES notation for CID 156725408?
The canonical SMILES for CID 156725408 is [B]Cc1cc2ccccc2o1.
What is the InChIKey of CID 156725408?
The InChIKey is MVZZAOQBUJDUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2.
What are the key properties of CID 156725408?
CID 156725408 has a molecular weight of 141.97 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156725408 is sourced from PubChem (CID 156725408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).