[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol

C18H16FNO — CID 19993750

IUPAC[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol
SMILESCc1c(CO)c(-c2ccc(F)cc2)cn1-c1ccccc1
InChIInChI=1S/C18H16FNO/c1-13-18(12-21)17(14-7-9-15(19)10-8-14)11-20(13)16-5-3-2-4-6-16/h2-11,21H,12H2,1H3
InChIKeyRLSHHWNVADNCAL-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.08
Rot. Bonds3

About [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol

[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol (PubChem CID 19993750) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol
PubChem CID19993750
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol
SMILESCc1c(CO)c(-c2ccc(F)cc2)cn1-c1ccccc1
InChIInChI=1S/C18H16FNO/c1-13-18(12-21)17(14-7-9-15(19)10-8-14)11-20(13)16-5-3-2-4-6-16/h2-11,21H,12H2,1H3
InChIKeyRLSHHWNVADNCAL-UHFFFAOYSA-N
XLogP4.08
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol (CID 19993750) is [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol is Cc1c(CO)c(-c2ccc(F)cc2)cn1-c1ccccc1.
What is the InChIKey of [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol?
The InChIKey is RLSHHWNVADNCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-13-18(12-21)17(14-7-9-15(19)10-8-14)11-20(13)16-5-3-2-4-6-16/h2-11,21H,12H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol?
[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol has a molecular weight of 281.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol is sourced from PubChem (CID 19993750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).