[5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol

C19H18FNO — CID 100793325

IUPAC[5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol
SMILESOCc1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)13-21-18(10-11-19(21)14-22)12-15-4-2-1-3-5-15/h1-11,22H,12-14H2
InChIKeyHIMRBGRETYNHPP-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.76
Rot. Bonds5

About [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol

[5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol (PubChem CID 100793325) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol
PubChem CID100793325
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name[5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol
SMILESOCc1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)13-21-18(10-11-19(21)14-22)12-15-4-2-1-3-5-15/h1-11,22H,12-14H2
InChIKeyHIMRBGRETYNHPP-UHFFFAOYSA-N
XLogP3.76
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_N(1)', 'substructure': 'N/A'}

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Related Compounds

1,2,5-tribenzylpyrrole
CID 15072584
[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol
CID 100793458
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
4-[5-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2,4-dioxobutanoic acid
CID 20696845
1,2-dibenzylpyrrole
CID 15912413
3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 2779712
methyl 1-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)methyl]pyrrole-2-carboxylate
CID 100793579
chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
CID 70538509
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395859
[2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-4-ylmethyl)imidazol-4-yl]methanol
CID 42797026
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol?
The IUPAC name of [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol (CID 100793325) is [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol?
The canonical SMILES for [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol is OCc1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1.
What is the InChIKey of [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol?
The InChIKey is HIMRBGRETYNHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)13-21-18(10-11-19(21)14-22)12-15-4-2-1-3-5-15/h1-11,22H,12-14H2.
What are the key properties of [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol?
[5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol has a molecular weight of 295.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 100793325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).