CID 88740626

C15H16AsO — CID 88740626

IUPAC—
SMILESCOc1ccccc1CC[As]c1ccccc1
InChIInChI=1S/C15H16AsO/c1-17-15-10-6-5-7-13(15)11-12-16-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyOKODTKIKEVQNJM-UHFFFAOYSA-N
MW287.21 g/mol
LogP2.69
Rot. Bonds5

About CID 88740626

CID 88740626 (PubChem CID 88740626) has the molecular formula C15H16AsO and a molecular weight of 287.21 g/mol.

Molecular Properties

Compound NameCID 88740626
PubChem CID88740626
Molecular FormulaC15H16AsO
Molecular Weight287.21 g/mol
Exact Mass287.04
IUPAC Name—
SMILESCOc1ccccc1CC[As]c1ccccc1
InChIInChI=1S/C15H16AsO/c1-17-15-10-6-5-7-13(15)11-12-16-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyOKODTKIKEVQNJM-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.69
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

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1-methoxy-2-tetradecylbenzene
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1-methoxy-2-(3,3,3-trifluoropropyl)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 88740626?
The IUPAC name of CID 88740626 (CID 88740626) is not available.
What is the SMILES notation for CID 88740626?
The canonical SMILES for CID 88740626 is COc1ccccc1CC[As]c1ccccc1.
What is the InChIKey of CID 88740626?
The InChIKey is OKODTKIKEVQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16AsO/c1-17-15-10-6-5-7-13(15)11-12-16-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of CID 88740626?
CID 88740626 has a molecular weight of 287.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88740626 is sourced from PubChem (CID 88740626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).