1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone

C14H10ClNO4 — CID 62873585

IUPAC1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO4/c1-9(17)13-8-11(16(18)19)4-7-14(13)20-12-5-2-10(15)3-6-12/h2-8H,1H3
InChIKeyKDIKSDGTBPCOCT-UHFFFAOYSA-N
MW291.69 g/mol
LogP4.24
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone

1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone (PubChem CID 62873585) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
PubChem CID62873585
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO4/c1-9(17)13-8-11(16(18)19)4-7-14(13)20-12-5-2-10(15)3-6-12/h2-8H,1H3
InChIKeyKDIKSDGTBPCOCT-UHFFFAOYSA-N
XLogP4.24
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
CID 24763777
2-(4-chlorophenoxy)-5-nitrophenol
CID 150663089
1-[2-(4-bromo-3-methylphenoxy)-5-nitrophenyl]ethanone
CID 83136228
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
CID 62873224
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
1-[4-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 63991778
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
2-(3,4-difluorophenoxy)-5-nitrobenzoic acid
CID 43399553
1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
CID 62871575
1-[2-(2-bromo-4-methylphenoxy)-5-nitrophenyl]ethanone
CID 62871942
1-[5-nitro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanone
CID 116801632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone (CID 62873585) is 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone is CC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone?
The InChIKey is KDIKSDGTBPCOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-9(17)13-8-11(16(18)19)4-7-14(13)20-12-5-2-10(15)3-6-12/h2-8H,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone?
1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone has a molecular weight of 291.69 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone is sourced from PubChem (CID 62873585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).