4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol

C18H21NO4 — CID 173275765

IUPAC4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol
SMILESOc1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(O)c1
InChIInChI=1S/C18H21NO4/c20-14-3-8-18(17(21)13-14)23-16-6-4-15(5-7-16)22-12-11-19-9-1-2-10-19/h3-8,13,20-21H,1-2,9-12H2
InChIKeyLCCCHGRDWTZFMV-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.36
Rot. Bonds6

About 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol

4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol (PubChem CID 173275765) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol
PubChem CID173275765
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol
SMILESOc1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(O)c1
InChIInChI=1S/C18H21NO4/c20-14-3-8-18(17(21)13-14)23-16-6-4-15(5-7-16)22-12-11-19-9-1-2-10-19/h3-8,13,20-21H,1-2,9-12H2
InChIKeyLCCCHGRDWTZFMV-UHFFFAOYSA-N
XLogP3.36
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 89110267
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-(5-methylthiophen-3-yl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 58338573
2-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-inden-5-ol
CID 54766104
2-(2-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-5-ol
CID 53301526
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol?
The IUPAC name of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol (CID 173275765) is 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol is Oc1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(O)c1.
What is the InChIKey of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol?
The InChIKey is LCCCHGRDWTZFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-14-3-8-18(17(21)13-14)23-16-6-4-15(5-7-16)22-12-11-19-9-1-2-10-19/h3-8,13,20-21H,1-2,9-12H2.
What are the key properties of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol?
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol has a molecular weight of 315.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol is sourced from PubChem (CID 173275765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).