2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone

C14H12ClNO4S — CID 103764386

IUPAC2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])s1
InChIInChI=1S/C14H12ClNO4S/c1-2-9-6-7-13(21-9)12(17)8-20-14-10(15)4-3-5-11(14)16(18)19/h3-7H,2,8H2,1H3
InChIKeyMYWZVTZWAFRKID-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.13
Rot. Bonds6

About 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone

2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 103764386) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID103764386
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])s1
InChIInChI=1S/C14H12ClNO4S/c1-2-9-6-7-13(21-9)12(17)8-20-14-10(15)4-3-5-11(14)16(18)19/h3-7H,2,8H2,1H3
InChIKeyMYWZVTZWAFRKID-UHFFFAOYSA-N
XLogP4.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 2-nitrobenzoate
CID 18194948
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
1-(2-chloro-6-nitrophenoxy)-3-methylpentan-2-one
CID 103864101
2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
CID 103764433
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
2-amino-4-(2-chloro-6-nitrophenoxy)-2-methylbutanoic acid
CID 107718459
3-[(2-chloro-6-nitrophenoxy)methyl]pentan-3-ol
CID 103931748
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(2-chloro-6-nitrophenyl)propan-1-one
CID 131073347
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-one
CID 107717066

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone (CID 103764386) is 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])s1.
What is the InChIKey of 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is MYWZVTZWAFRKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-2-9-6-7-13(21-9)12(17)8-20-14-10(15)4-3-5-11(14)16(18)19/h3-7H,2,8H2,1H3.
What are the key properties of 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 325.77 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 103764386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).