1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C14H21NO2 — CID 3145443

IUPAC1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(OCC(O)CN2CCCC2)cc1
InChIInChI=1S/C14H21NO2/c1-12-4-6-14(7-5-12)17-11-13(16)10-15-8-2-3-9-15/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyCHVBUZXSWTYODQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 3145443) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID3145443
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(OCC(O)CN2CCCC2)cc1
InChIInChI=1S/C14H21NO2/c1-12-4-6-14(7-5-12)17-11-13(16)10-15-8-2-3-9-15/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyCHVBUZXSWTYODQ-UHFFFAOYSA-N
XLogP1.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 86928518
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 3145443) is 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is Cc1ccc(OCC(O)CN2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is CHVBUZXSWTYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-4-6-14(7-5-12)17-11-13(16)10-15-8-2-3-9-15/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 3145443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).