3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol

C18H21NO3 — CID 173311390

IUPAC3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol
SMILESOc1ccc(-c2cc(O)cc(OCCC3CCCN3)c2)cc1
InChIInChI=1S/C18H21NO3/c20-16-5-3-13(4-6-16)14-10-17(21)12-18(11-14)22-9-7-15-2-1-8-19-15/h3-6,10-12,15,19-21H,1-2,7-9H2
InChIKeyVXIRVCMIBCUPTR-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.29
Rot. Bonds5

About 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol

3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol (PubChem CID 173311390) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol
PubChem CID173311390
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol
SMILESOc1ccc(-c2cc(O)cc(OCCC3CCCN3)c2)cc1
InChIInChI=1S/C18H21NO3/c20-16-5-3-13(4-6-16)14-10-17(21)12-18(11-14)22-9-7-15-2-1-8-19-15/h3-6,10-12,15,19-21H,1-2,7-9H2
InChIKeyVXIRVCMIBCUPTR-UHFFFAOYSA-N
XLogP3.29
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
5-[2-[(2R)-pyrrolidin-2-yl]ethoxy]pyrimidine
CID 97057121
2-(4-hydroxyphenyl)-3-[4-(2-piperidin-2-ylethoxy)phenoxy]-1-benzothiophen-6-ol;hydrochloride
CID 70150776
4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998970
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998972
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
2-[4-(2-pyrrolidin-2-ylethoxy)phenyl]-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol
CID 70256018

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol?
The IUPAC name of 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol (CID 173311390) is 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol?
The canonical SMILES for 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol is Oc1ccc(-c2cc(O)cc(OCCC3CCCN3)c2)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol?
The InChIKey is VXIRVCMIBCUPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-16-5-3-13(4-6-16)14-10-17(21)12-18(11-14)22-9-7-15-2-1-8-19-15/h3-6,10-12,15,19-21H,1-2,7-9H2.
What are the key properties of 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol?
3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol has a molecular weight of 299.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol is sourced from PubChem (CID 173311390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).