1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene

C15H14FNO5 — CID 57247733

IUPAC1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2F)c(OC)c1OC
InChIInChI=1S/C15H14FNO5/c1-20-13-7-6-11(14(21-2)15(13)22-3)10-5-4-9(17(18)19)8-12(10)16/h4-8H,1-3H3
InChIKeyMVMUYGYBSSCCII-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene

1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene (PubChem CID 57247733) has the molecular formula C15H14FNO5 and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene
PubChem CID57247733
Molecular FormulaC15H14FNO5
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2F)c(OC)c1OC
InChIInChI=1S/C15H14FNO5/c1-20-13-7-6-11(14(21-2)15(13)22-3)10-5-4-9(17(18)19)8-12(10)16/h4-8H,1-3H3
InChIKeyMVMUYGYBSSCCII-UHFFFAOYSA-N
XLogP3.43
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.43
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

4-(3,4,5-Trimethoxyphenethyl)aniline
CID 364705
(Z)-1,2,3-trimethoxy-5-(4-methoxy-3-nitrostyryl)benzene
CID 10617491
1,2-dimethoxy-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 12266574
5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 24859344
2,3,4-Trimethoxy-4''-amino-trans-stilbene
CID 49799652
1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)-2-nitroethenyl]benzene
CID 5863258
(2E,6E)-2-[(4-nitrophenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one
CID 11718485
5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 24859348
1,2,3-Trimethoxy-4-[(4-methoxy-3-nitrophenyl)methyl]benzene
CID 46226495
1,2,3-Trimethoxy-5-[(4-methoxy-3-nitrophenyl)methyl]benzene
CID 46226502
5-[(Z)-3-(3-fluoro-4-methoxyphenyl)-2-nitroprop-2-enyl]-1,2,3-trimethoxybenzene
CID 66572956
(Z)-1,2-Difluoro-1-(3,4,5-trimethoxyphenyl)-2-(3-nitro-4-methoxy-phenyl)ethene
CID 12135314

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene (CID 57247733) is 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene is COc1ccc(-c2ccc([N+](=O)[O-])cc2F)c(OC)c1OC.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene?
The InChIKey is MVMUYGYBSSCCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5/c1-20-13-7-6-11(14(21-2)15(13)22-3)10-5-4-9(17(18)19)8-12(10)16/h4-8H,1-3H3.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene?
1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene has a molecular weight of 307.28 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-2,3,4-trimethoxybenzene is sourced from PubChem (CID 57247733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).