1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole

C13H14FNO — CID 15354636

IUPAC1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole
SMILESCOc1ccc(-n2c(C)ccc2C)c(F)c1
InChIInChI=1S/C13H14FNO/c1-9-4-5-10(2)15(9)13-7-6-11(16-3)8-12(13)14/h4-8H,1-3H3
InChIKeyIJLHORUAMUWLHR-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.24
Rot. Bonds2

About 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole

1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole (PubChem CID 15354636) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole
PubChem CID15354636
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole
SMILESCOc1ccc(-n2c(C)ccc2C)c(F)c1
InChIInChI=1S/C13H14FNO/c1-9-4-5-10(2)15(9)13-7-6-11(16-3)8-12(13)14/h4-8H,1-3H3
InChIKeyIJLHORUAMUWLHR-UHFFFAOYSA-N
XLogP3.24
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)-1H-pyrrole
CID 272427
3-(2,5-Dimethyl-pyrrol-1-yl)-4-methoxy-phenylamine
CID 776878
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]acetic acid
CID 776871
Acetamide, 2-(p-(2,5-dimethyl-1-pyrrolyl)phenoxy)-
CID 354068
4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol
CID 1283353
1-(4-methoxyphenyl)-2-[(E)-2-nitroethenyl]-1H-pyrrole
CID 956456
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole
CID 608518
2,5-Dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
CID 2741190
1H-Pyrrole-2-acetic acid, 1-(4-methoxyphenyl)-5-methyl-
CID 3042743
1-[4-(Difluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 2374190
2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl}methylene)malononitrile
CID 2741862
2-[1-(4-Methoxyphenyl)pyrrol-2-yl]ethanamine
CID 44388919

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole (CID 15354636) is 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole is COc1ccc(-n2c(C)ccc2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole?
The InChIKey is IJLHORUAMUWLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9-4-5-10(2)15(9)13-7-6-11(16-3)8-12(13)14/h4-8H,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole?
1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole has a molecular weight of 219.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 15354636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).