3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol

C17H15F2NO — CID 142843142

IUPAC3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol
SMILESCN1CC(c2cc(F)ccc2F)=CC1c1cccc(O)c1
InChIInChI=1S/C17H15F2NO/c1-20-10-12(15-9-13(18)5-6-16(15)19)8-17(20)11-3-2-4-14(21)7-11/h2-9,17,21H,10H2,1H3
InChIKeyDXZSZGFXWAQLQW-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.74
Rot. Bonds2

About 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol

3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol (PubChem CID 142843142) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol
PubChem CID142843142
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol
SMILESCN1CC(c2cc(F)ccc2F)=CC1c1cccc(O)c1
InChIInChI=1S/C17H15F2NO/c1-20-10-12(15-9-13(18)5-6-16(15)19)8-17(20)11-3-2-4-14(21)7-11/h2-9,17,21H,10H2,1H3
InChIKeyDXZSZGFXWAQLQW-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole
CID 142843060
(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2,5-dihydropyrrol-1-yl]ethane-1,2-diol
CID 68897179
3-[(2S)-4-(2,5-difluorophenyl)-1-[(E)-2-methylsulfonylethenyl]-2,5-dihydropyrrol-2-yl]phenol
CID 142842930
[(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2,5-dihydropyrrol-1-yl]-piperidin-1-ylmethanone
CID 68898905
4-(2,5-difluorophenyl)-1-methyl-2-phenyl-2,5-dihydropyrrole;N,2-dimethylpropan-1-amine;formaldehyde
CID 142843022
3-[4-(2,5-difluorophenyl)-1-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]-2,5-dihydropyrrol-2-yl]phenol
CID 142843052
4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide
CID 58641352
2-[1-[[4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2,5-dihydropyrrole-1-carbonyl]-methylamino]ethyl]-4-methylpiperazine-1-carboxylic acid
CID 68896595
4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[2-(1H-1,2,4-triazol-2-ium-2-yl)ethyl]-2,5-dihydropyrrole-1-carboxamide
CID 58641187
2-(3-aminophenyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide
CID 10088803
(2S)-4-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)-2-phenyl-2,5-dihydropyrrole
CID 58641378
(2S)-2-amino-1-[(2S)-4-(5-chloro-2-fluorophenyl)-2-(3-hydroxyphenyl)-2,5-dihydropyrrol-1-yl]-3,3-dimethylbutan-1-one
CID 59656623

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol?
The IUPAC name of 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol (CID 142843142) is 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol.
What is the SMILES notation for 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol?
The canonical SMILES for 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol is CN1CC(c2cc(F)ccc2F)=CC1c1cccc(O)c1.
What is the InChIKey of 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol?
The InChIKey is DXZSZGFXWAQLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-20-10-12(15-9-13(18)5-6-16(15)19)8-17(20)11-3-2-4-14(21)7-11/h2-9,17,21H,10H2,1H3.
What are the key properties of 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol?
3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol has a molecular weight of 287.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol is sourced from PubChem (CID 142843142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).