methyl 3-(4-chlorophenyl)selanylpropanoate

C10H11ClO2Se — CID 71600478

IUPACmethyl 3-(4-chlorophenyl)selanylpropanoate
SMILESCOC(=O)CC[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO2Se/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyHLTJXBGZYBBCSN-UHFFFAOYSA-N
MW277.61 g/mol
LogP1.65
Rot. Bonds4

About methyl 3-(4-chlorophenyl)selanylpropanoate

methyl 3-(4-chlorophenyl)selanylpropanoate (PubChem CID 71600478) has the molecular formula C10H11ClO2Se and a molecular weight of 277.61 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)selanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)selanylpropanoate
PubChem CID71600478
Molecular FormulaC10H11ClO2Se
Molecular Weight277.61 g/mol
Exact Mass277.96
IUPAC Namemethyl 3-(4-chlorophenyl)selanylpropanoate
SMILESCOC(=O)CC[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO2Se/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyHLTJXBGZYBBCSN-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.61
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;chlorobenzene;dimethyl butanedioate
CID 174884752
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
methyl 4-[(4-chlorophenyl)methylamino]-4-oxobutanoate
CID 94691458
methyl 4-[4-(4-chlorobenzoyl)phenyl]butanoate
CID 10781715
methyl 7-(4-chlorophenyl)sulfanylheptanoate
CID 10334222
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
methyl (4R)-4-hydroxy-5-phenylselanylpentanoate
CID 101347275
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 3054668
methyl 4-oxo-5-phenylselanylpentanoate
CID 13004959
methyl 3-[4-(4-chlorophenoxy)phenyl]-3-oxopropanoate
CID 166949308
methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
CID 70423773
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)selanylpropanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)selanylpropanoate (CID 71600478) is methyl 3-(4-chlorophenyl)selanylpropanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)selanylpropanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)selanylpropanoate is COC(=O)CC[Se]c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)selanylpropanoate?
The InChIKey is HLTJXBGZYBBCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2Se/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of methyl 3-(4-chlorophenyl)selanylpropanoate?
methyl 3-(4-chlorophenyl)selanylpropanoate has a molecular weight of 277.61 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)selanylpropanoate is sourced from PubChem (CID 71600478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).