[4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol

C14H19NO2 — CID 145415365

IUPAC[4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol
SMILESC=C(COc1ccc(CO)cc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-12(15-8-2-3-9-15)11-17-14-6-4-13(10-16)5-7-14/h4-7,16H,1-3,8-11H2
InChIKeyXZARSGFJLKEQBS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds5

About [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol

[4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol (PubChem CID 145415365) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol
PubChem CID145415365
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol
SMILESC=C(COc1ccc(CO)cc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-12(15-8-2-3-9-15)11-17-14-6-4-13(10-16)5-7-14/h4-7,16H,1-3,8-11H2
InChIKeyXZARSGFJLKEQBS-UHFFFAOYSA-N
XLogP2.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
ethane;2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone;4-(trifluoromethyl)phenol
CID 164906069
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone;2-(trifluoromethoxy)phenol
CID 164905979
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol?
The IUPAC name of [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol (CID 145415365) is [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol.
What is the SMILES notation for [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol?
The canonical SMILES for [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol is C=C(COc1ccc(CO)cc1)N1CCCC1.
What is the InChIKey of [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol?
The InChIKey is XZARSGFJLKEQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(15-8-2-3-9-15)11-17-14-6-4-13(10-16)5-7-14/h4-7,16H,1-3,8-11H2.
What are the key properties of [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol?
[4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol has a molecular weight of 233.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol is sourced from PubChem (CID 145415365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).