2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol

C15H23NO2 — CID 129295645

IUPAC2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
SMILESCCOc1cc(CCCN2CCCC2)ccc1O
InChIInChI=1S/C15H23NO2/c1-2-18-15-12-13(7-8-14(15)17)6-5-11-16-9-3-4-10-16/h7-8,12,17H,2-6,9-11H2,1H3
InChIKeyYZKYOBVGMLGMSE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.82
Rot. Bonds6

About 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol

2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol (PubChem CID 129295645) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
PubChem CID129295645
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
SMILESCCOc1cc(CCCN2CCCC2)ccc1O
InChIInChI=1S/C15H23NO2/c1-2-18-15-12-13(7-8-14(15)17)6-5-11-16-9-3-4-10-16/h7-8,12,17H,2-6,9-11H2,1H3
InChIKeyYZKYOBVGMLGMSE-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657313
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
1-[3-(azepan-1-yl)propyl]-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-ethylguanidine
CID 111325016
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476
1-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111574911
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol?
The IUPAC name of 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol (CID 129295645) is 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol.
What is the SMILES notation for 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol?
The canonical SMILES for 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol is CCOc1cc(CCCN2CCCC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol?
The InChIKey is YZKYOBVGMLGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-18-15-12-13(7-8-14(15)17)6-5-11-16-9-3-4-10-16/h7-8,12,17H,2-6,9-11H2,1H3.
What are the key properties of 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol?
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol has a molecular weight of 249.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol is sourced from PubChem (CID 129295645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).