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3-methyl-4-(1-methylpyrrolidin-3-yl)phenol

C12H17NO — CID 156814350

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
SMILESCc1cc(O)ccc1C1CCN(C)C1
InChIInChI=1S/C12H17NO/c1-9-7-11(14)3-4-12(9)10-5-6-13(2)8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyFSKJNYYLCRTPMF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.12
Rot. Bonds1

About 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol

3-methyl-4-(1-methylpyrrolidin-3-yl)phenol (PubChem CID 156814350) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
PubChem CID156814350
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
SMILESCc1cc(O)ccc1C1CCN(C)C1
InChIInChI=1S/C12H17NO/c1-9-7-11(14)3-4-12(9)10-5-6-13(2)8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyFSKJNYYLCRTPMF-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol?
The IUPAC name of 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol (CID 156814350) is 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol.
What is the SMILES notation for 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol?
The canonical SMILES for 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol is Cc1cc(O)ccc1C1CCN(C)C1.
What is the InChIKey of 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol?
The InChIKey is FSKJNYYLCRTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-11(14)3-4-12(9)10-5-6-13(2)8-10/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol?
3-methyl-4-(1-methylpyrrolidin-3-yl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrrolidin-3-yl)phenol is sourced from PubChem (CID 156814350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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