2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene

C17H13NO3S — CID 175428788

IUPAC2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene
SMILESCOc1cc(-c2ccccc2)c([N+](=O)[O-])cc1-c1cccs1
InChIInChI=1S/C17H13NO3S/c1-21-16-11-13(12-6-3-2-4-7-12)15(18(19)20)10-14(16)17-8-5-9-22-17/h2-11H,1H3
InChIKeyHMGAKAXEIDGAKW-UHFFFAOYSA-N
MW311.36 g/mol
LogP5.00
Rot. Bonds4

About 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene

2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene (PubChem CID 175428788) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene.

Molecular Properties

Compound Name2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene
PubChem CID175428788
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene
SMILESCOc1cc(-c2ccccc2)c([N+](=O)[O-])cc1-c1cccs1
InChIInChI=1S/C17H13NO3S/c1-21-16-11-13(12-6-3-2-4-7-12)15(18(19)20)10-14(16)17-8-5-9-22-17/h2-11H,1H3
InChIKeyHMGAKAXEIDGAKW-UHFFFAOYSA-N
XLogP5.00
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 55.00
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

2-methoxy-5-nitro-4-phenylphenol
CID 134907742
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
2-(4-methylsulfanyl-2-nitrophenyl)thiophene
CID 168863117
2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
CID 91554743
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2-(5-fluoro-2-methoxyphenyl)thiophene
CID 22723462
(4-nitro-2-thiophen-2-ylphenyl) 2-fluoro-4,5-dimethoxybenzenesulfonate
CID 35316948
bis(3-methoxy-4-thiophen-2-ylphenyl)diazene
CID 134812992
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
CID 175819744
1-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxy-2-nitrobenzene
CID 10408539

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene?
The IUPAC name of 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene (CID 175428788) is 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene.
What is the SMILES notation for 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene?
The canonical SMILES for 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene is COc1cc(-c2ccccc2)c([N+](=O)[O-])cc1-c1cccs1.
What is the InChIKey of 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene?
The InChIKey is HMGAKAXEIDGAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-21-16-11-13(12-6-3-2-4-7-12)15(18(19)20)10-14(16)17-8-5-9-22-17/h2-11H,1H3.
What are the key properties of 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene?
2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene has a molecular weight of 311.36 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene is sourced from PubChem (CID 175428788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).