(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone

C14H10FNO3 — CID 163843120

IUPAC(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone
SMILESCc1cc(F)c([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10FNO3/c1-9-7-12(15)13(16(18)19)8-11(9)14(17)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyONTNMJIKSMOICC-UHFFFAOYSA-N
MW259.24 g/mol
LogP3.27
Rot. Bonds3

About (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone

(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone (PubChem CID 163843120) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone
PubChem CID163843120
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone
SMILESCc1cc(F)c([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10FNO3/c1-9-7-12(15)13(16(18)19)8-11(9)14(17)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyONTNMJIKSMOICC-UHFFFAOYSA-N
XLogP3.27
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone
CID 18314505
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
CID 156846136
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
(4-methyl-3,5-dinitrophenyl)-phenylmethanone
CID 15084102
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
phenyl-(2,3,5-trimethyl-4-nitrophenyl)methanone
CID 157134053
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
2-(2-fluoro-4-methyl-5-nitrophenyl)-2-oxoacetic acid
CID 165489026
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
(3,5-dimethyl-4-nitrophenyl)-phenylmethanone
CID 13265343

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone?
The IUPAC name of (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone (CID 163843120) is (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone?
The canonical SMILES for (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone is Cc1cc(F)c([N+](=O)[O-])cc1C(=O)c1ccccc1.
What is the InChIKey of (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone?
The InChIKey is ONTNMJIKSMOICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c1-9-7-12(15)13(16(18)19)8-11(9)14(17)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone?
(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone has a molecular weight of 259.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 163843120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).