[4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol

C19H18FNO — CID 14369139

IUPAC[4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol
SMILESCc1c(CO)c(-c2ccc(F)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H18FNO/c1-13-18(12-22)19(15-8-10-16(20)11-9-15)14(2)21(13)17-6-4-3-5-7-17/h3-11,22H,12H2,1-2H3
InChIKeyHMJKWTAXBBFZPP-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.39
Rot. Bonds3

About [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol

[4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol (PubChem CID 14369139) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol
PubChem CID14369139
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name[4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol
SMILESCc1c(CO)c(-c2ccc(F)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H18FNO/c1-13-18(12-22)19(15-8-10-16(20)11-9-15)14(2)21(13)17-6-4-3-5-7-17/h3-11,22H,12H2,1-2H3
InChIKeyHMJKWTAXBBFZPP-UHFFFAOYSA-N
XLogP4.39
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol (CID 14369139) is [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol is Cc1c(CO)c(-c2ccc(F)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol?
The InChIKey is HMJKWTAXBBFZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-13-18(12-22)19(15-8-10-16(20)11-9-15)14(2)21(13)17-6-4-3-5-7-17/h3-11,22H,12H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol?
[4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol has a molecular weight of 295.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol is sourced from PubChem (CID 14369139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).