[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol

C13H19NO2 — CID 103535412

IUPAC[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
SMILESCOC1CCN(c2ccc(CO)c(C)c2)C1
InChIInChI=1S/C13H19NO2/c1-10-7-12(4-3-11(10)9-15)14-6-5-13(8-14)16-2/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyPERGHCDKLOWRLQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds3

About [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol

[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol (PubChem CID 103535412) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
PubChem CID103535412
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
SMILESCOC1CCN(c2ccc(CO)c(C)c2)C1
InChIInChI=1S/C13H19NO2/c1-10-7-12(4-3-11(10)9-15)14-6-5-13(8-14)16-2/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyPERGHCDKLOWRLQ-UHFFFAOYSA-N
XLogP1.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol?
The IUPAC name of [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol (CID 103535412) is [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol is COC1CCN(c2ccc(CO)c(C)c2)C1.
What is the InChIKey of [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol?
The InChIKey is PERGHCDKLOWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-12(4-3-11(10)9-15)14-6-5-13(8-14)16-2/h3-4,7,13,15H,5-6,8-9H2,1-2H3.
What are the key properties of [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol?
[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol is sourced from PubChem (CID 103535412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).