[1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol

C18H20FNO — CID 173082213

IUPAC[1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO/c1-13-2-4-14(5-3-13)18(21)15-10-11-20(12-15)17-8-6-16(19)7-9-17/h2-9,15,18,21H,10-12H2,1H3
InChIKeyQQEGCBIPDVZRFE-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.69
Rot. Bonds3

About [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol

[1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol (PubChem CID 173082213) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol
PubChem CID173082213
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name[1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO/c1-13-2-4-14(5-3-13)18(21)15-10-11-20(12-15)17-8-6-16(19)7-9-17/h2-9,15,18,21H,10-12H2,1H3
InChIKeyQQEGCBIPDVZRFE-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol?
The IUPAC name of [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol (CID 173082213) is [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol.
What is the SMILES notation for [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol?
The canonical SMILES for [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol is Cc1ccc(C(O)C2CCN(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol?
The InChIKey is QQEGCBIPDVZRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-2-4-14(5-3-13)18(21)15-10-11-20(12-15)17-8-6-16(19)7-9-17/h2-9,15,18,21H,10-12H2,1H3.
What are the key properties of [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol?
[1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol has a molecular weight of 285.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanol is sourced from PubChem (CID 173082213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).