O-methyl 2-phenylethaneselenoate

C9H10OSe — CID 15646646

IUPACO-methyl 2-phenylethaneselenoate
SMILESCOC(=[Se])Cc1ccccc1
InChIInChI=1S/C9H10OSe/c1-10-9(11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyTVHCIWADHTZMKU-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.17
Rot. Bonds3

About O-methyl 2-phenylethaneselenoate

O-methyl 2-phenylethaneselenoate (PubChem CID 15646646) has the molecular formula C9H10OSe and a molecular weight of 213.14 g/mol. Its IUPAC name is O-methyl 2-phenylethaneselenoate.

Molecular Properties

Compound NameO-methyl 2-phenylethaneselenoate
PubChem CID15646646
Molecular FormulaC9H10OSe
Molecular Weight213.14 g/mol
Exact Mass213.99
IUPAC NameO-methyl 2-phenylethaneselenoate
SMILESCOC(=[Se])Cc1ccccc1
InChIInChI=1S/C9H10OSe/c1-10-9(11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyTVHCIWADHTZMKU-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.17
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

O-ethyl 2-phenylethaneselenoate
CID 11042454
(1-methoxy-2-phenylethylidene)azanium chloride
CID 44725554
CID 172801156
CID 172801156
carbon dioxide;methyl 2-phenylacetate
CID 159198536
4-methoxy-1-phenylpent-4-en-2-one
CID 143549548
methyl 2-benzylprop-2-enoate
CID 575761
N,N-bis(methoxyamino)-2-phenylacetamide
CID 174382025
methyl 2-phenylacetate;pyridine
CID 22282999
benzylbenzene;methoxymethane
CID 161110966
N-methoxy-2-phenylethanimidoyl bromide
CID 165358038
N-amino-N'-methyl-2-phenylethanimidamide
CID 15751724
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293

Frequently Asked Questions

What is the IUPAC name of O-methyl 2-phenylethaneselenoate?
The IUPAC name of O-methyl 2-phenylethaneselenoate (CID 15646646) is O-methyl 2-phenylethaneselenoate.
What is the SMILES notation for O-methyl 2-phenylethaneselenoate?
The canonical SMILES for O-methyl 2-phenylethaneselenoate is COC(=[Se])Cc1ccccc1.
What is the InChIKey of O-methyl 2-phenylethaneselenoate?
The InChIKey is TVHCIWADHTZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OSe/c1-10-9(11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of O-methyl 2-phenylethaneselenoate?
O-methyl 2-phenylethaneselenoate has a molecular weight of 213.14 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 2-phenylethaneselenoate is sourced from PubChem (CID 15646646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).