[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol

C15H23NO2 — CID 63325192

IUPAC[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
SMILESCc1ccc(OCCCN2CCCC2)c(CO)c1
InChIInChI=1S/C15H23NO2/c1-13-5-6-15(14(11-13)12-17)18-10-4-9-16-7-2-3-8-16/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyCEEKCPROBXWXDH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.35
Rot. Bonds6

About [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol

[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol (PubChem CID 63325192) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
PubChem CID63325192
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
SMILESCc1ccc(OCCCN2CCCC2)c(CO)c1
InChIInChI=1S/C15H23NO2/c1-13-5-6-15(14(11-13)12-17)18-10-4-9-16-7-2-3-8-16/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyCEEKCPROBXWXDH-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103
1-[3-(2-bromo-4-methylphenoxy)propyl]pyrrolidine
CID 2299479
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
1-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
CID 2924381
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
1-[4-(2-bromo-4-methylphenoxy)butyl]piperidine;oxalic acid
CID 2922843

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
The IUPAC name of [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol (CID 63325192) is [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol.
What is the SMILES notation for [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
The canonical SMILES for [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol is Cc1ccc(OCCCN2CCCC2)c(CO)c1.
What is the InChIKey of [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
The InChIKey is CEEKCPROBXWXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-5-6-15(14(11-13)12-17)18-10-4-9-16-7-2-3-8-16/h5-6,11,17H,2-4,7-10,12H2,1H3.
What are the key properties of [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol is sourced from PubChem (CID 63325192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).