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

C15H18FNO — CID 19993752

IUPAC[4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol
SMILESCc1c(CO)c(-c2ccc(F)cc2)cn1C(C)C
InChIInChI=1S/C15H18FNO/c1-10(2)17-8-14(15(9-18)11(17)3)12-4-6-13(16)7-5-12/h4-8,10,18H,9H2,1-3H3
InChIKeyMHEWEHRKDLWWBJ-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.68
Rot. Bonds3

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

[4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol (PubChem CID 19993752) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol
PubChem CID19993752
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name[4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol
SMILESCc1c(CO)c(-c2ccc(F)cc2)cn1C(C)C
InChIInChI=1S/C15H18FNO/c1-10(2)17-8-14(15(9-18)11(17)3)12-4-6-13(16)7-5-12/h4-8,10,18H,9H2,1-3H3
InChIKeyMHEWEHRKDLWWBJ-UHFFFAOYSA-N
XLogP3.68
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 11231451
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CID 15312694
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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol (CID 19993752) is [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol is Cc1c(CO)c(-c2ccc(F)cc2)cn1C(C)C.
What is the InChIKey of [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol?
The InChIKey is MHEWEHRKDLWWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-10(2)17-8-14(15(9-18)11(17)3)12-4-6-13(16)7-5-12/h4-8,10,18H,9H2,1-3H3.
What are the key properties of [4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol?
[4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol has a molecular weight of 247.31 g/mol, XLogP of 3.68, 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-propan-2-ylpyrrol-3-yl]methanol is sourced from PubChem (CID 19993752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).