[4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol

C17H22FNO — CID 19993758

IUPAC[4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)cn1C(C)C
InChIInChI=1S/C17H22FNO/c1-11(2)17-16(10-20)15(9-19(17)12(3)4)13-5-7-14(18)8-6-13/h5-9,11-12,20H,10H2,1-4H3
InChIKeyBZECNFMRIMQZFN-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.49
Rot. Bonds4

About [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol

[4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol (PubChem CID 19993758) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol
PubChem CID19993758
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name[4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)cn1C(C)C
InChIInChI=1S/C17H22FNO/c1-11(2)17-16(10-20)15(9-19(17)12(3)4)13-5-7-14(18)8-6-13/h5-9,11-12,20H,10H2,1-4H3
InChIKeyBZECNFMRIMQZFN-UHFFFAOYSA-N
XLogP4.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol (CID 19993758) is [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol is CC(C)c1c(CO)c(-c2ccc(F)cc2)cn1C(C)C.
What is the InChIKey of [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol?
The InChIKey is BZECNFMRIMQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-11(2)17-16(10-20)15(9-19(17)12(3)4)13-5-7-14(18)8-6-13/h5-9,11-12,20H,10H2,1-4H3.
What are the key properties of [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol?
[4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol has a molecular weight of 275.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol is sourced from PubChem (CID 19993758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).