(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone

C16H14FNO6 — CID 172740515

IUPAC(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone
SMILESCOc1cc(F)cc(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14FNO6/c1-22-12-5-9(4-11(17)8-12)15(19)10-6-13(18(20)21)16(24-3)14(7-10)23-2/h4-8H,1-3H3
InChIKeyJAMWMABPNBVIDV-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.99
Rot. Bonds6

About (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone

(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone (PubChem CID 172740515) has the molecular formula C16H14FNO6 and a molecular weight of 335.29 g/mol. Its IUPAC name is (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone
PubChem CID172740515
Molecular FormulaC16H14FNO6
Molecular Weight335.29 g/mol
Exact Mass335.08
IUPAC Name(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone
SMILESCOc1cc(F)cc(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14FNO6/c1-22-12-5-9(4-11(17)8-12)15(19)10-6-13(18(20)21)16(24-3)14(7-10)23-2/h4-8H,1-3H3
InChIKeyJAMWMABPNBVIDV-UHFFFAOYSA-N
XLogP2.99
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
(3-amino-4,5-dimethoxyphenyl)-phenylmethanone;(3,4-dimethoxy-5-nitrophenyl)-phenylmethanone
CID 159399191
(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone;(2-fluorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone
CID 158356325
3-(3,4-dimethoxy-5-nitrophenyl)-3-oxopropanoate
CID 21459038
(3-amino-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone;(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone
CID 159731830
2-(3,4-dimethoxy-5-nitrobenzoyl)propanedioic acid
CID 21459187
(3,4-dimethoxyphenyl)-(4-fluoro-3-nitrophenyl)methanone
CID 142658241
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
1-(4-ethoxy-3-methoxy-5-nitrophenyl)propan-1-one
CID 112720297

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone?
The IUPAC name of (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone (CID 172740515) is (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone.
What is the SMILES notation for (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone?
The canonical SMILES for (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone is COc1cc(F)cc(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone?
The InChIKey is JAMWMABPNBVIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO6/c1-22-12-5-9(4-11(17)8-12)15(19)10-6-13(18(20)21)16(24-3)14(7-10)23-2/h4-8H,1-3H3.
What are the key properties of (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone?
(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone has a molecular weight of 335.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone is sourced from PubChem (CID 172740515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).