CID 87640434

C9H12AsO — CID 87640434

IUPAC—
SMILESCOc1cccc(C[As]C)c1
InChIInChI=1S/C9H12AsO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6H,7H2,1-2H3
InChIKeyMNRZTHHFXPVZKK-UHFFFAOYSA-N
MW211.12 g/mol
LogP1.95
Rot. Bonds3

About CID 87640434

CID 87640434 (PubChem CID 87640434) has the molecular formula C9H12AsO and a molecular weight of 211.12 g/mol.

Molecular Properties

Compound NameCID 87640434
PubChem CID87640434
Molecular FormulaC9H12AsO
Molecular Weight211.12 g/mol
Exact Mass211.01
IUPAC Name—
SMILESCOc1cccc(C[As]C)c1
InChIInChI=1S/C9H12AsO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6H,7H2,1-2H3
InChIKeyMNRZTHHFXPVZKK-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87640434 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-methoxyphenyl)methanethiol
CID 10749403
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
1-methoxy-3-propylbenzene
CID 14270128
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383

Frequently Asked Questions

What is the IUPAC name of CID 87640434?
The IUPAC name of CID 87640434 (CID 87640434) is not available.
What is the SMILES notation for CID 87640434?
The canonical SMILES for CID 87640434 is COc1cccc(C[As]C)c1.
What is the InChIKey of CID 87640434?
The InChIKey is MNRZTHHFXPVZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12AsO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6H,7H2,1-2H3.
What are the key properties of CID 87640434?
CID 87640434 has a molecular weight of 211.12 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87640434 is sourced from PubChem (CID 87640434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).