2-(4-iodo-2-nitrophenyl)-1-phenylethanone

C14H10INO3 — CID 66080564

IUPAC2-(4-iodo-2-nitrophenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(I)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H10INO3/c15-12-7-6-11(13(9-12)16(18)19)8-14(17)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyXNLJUZGJUNRXND-UHFFFAOYSA-N
MW367.14 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-iodo-2-nitrophenyl)-1-phenylethanone

2-(4-iodo-2-nitrophenyl)-1-phenylethanone (PubChem CID 66080564) has the molecular formula C14H10INO3 and a molecular weight of 367.14 g/mol. Its IUPAC name is 2-(4-iodo-2-nitrophenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-iodo-2-nitrophenyl)-1-phenylethanone
PubChem CID66080564
Molecular FormulaC14H10INO3
Molecular Weight367.14 g/mol
Exact Mass366.97
IUPAC Name2-(4-iodo-2-nitrophenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(I)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H10INO3/c15-12-7-6-11(13(9-12)16(18)19)8-14(17)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyXNLJUZGJUNRXND-UHFFFAOYSA-N
XLogP3.62
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dinitro-5-phenacylphenyl)-1-phenylethanone
CID 2748910
2-(4-bromo-2-nitrophenyl)-1-phenylethanone
CID 63198831
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
2-(5-bromo-2,4-dinitrophenyl)-1-phenylethanone
CID 135005070
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(5-nitro-1H-pyrrol-2-yl)-1-phenylethanone
CID 178070733
2-[2-nitro-3-(2-nitro-3-phenacylphenyl)sulfonylphenyl]-1-phenylethanone
CID 54268944
(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone
CID 134638321
2-(4-bromo-2-nitrophenyl)-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 13238537
2-(3-methoxy-4-nitrophenyl)-1-phenylethanone
CID 63676279
2-nitro-5-(2-phenylacetyl)benzoic acid
CID 70152751

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-nitrophenyl)-1-phenylethanone?
The IUPAC name of 2-(4-iodo-2-nitrophenyl)-1-phenylethanone (CID 66080564) is 2-(4-iodo-2-nitrophenyl)-1-phenylethanone.
What is the SMILES notation for 2-(4-iodo-2-nitrophenyl)-1-phenylethanone?
The canonical SMILES for 2-(4-iodo-2-nitrophenyl)-1-phenylethanone is O=C(Cc1ccc(I)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(4-iodo-2-nitrophenyl)-1-phenylethanone?
The InChIKey is XNLJUZGJUNRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO3/c15-12-7-6-11(13(9-12)16(18)19)8-14(17)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 2-(4-iodo-2-nitrophenyl)-1-phenylethanone?
2-(4-iodo-2-nitrophenyl)-1-phenylethanone has a molecular weight of 367.14 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-nitrophenyl)-1-phenylethanone is sourced from PubChem (CID 66080564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).