1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol

C13H19NO2 — CID 102551317

IUPAC1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol
SMILESCCOCc1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-2-16-10-11-3-5-12(6-4-11)14-8-7-13(15)9-14/h3-6,13,15H,2,7-10H2,1H3
InChIKeyZGUUOGKDJYGTBI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol

1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol (PubChem CID 102551317) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol
PubChem CID102551317
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol
SMILESCCOCc1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-2-16-10-11-3-5-12(6-4-11)14-8-7-13(15)9-14/h3-6,13,15H,2,7-10H2,1H3
InChIKeyZGUUOGKDJYGTBI-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393
1-phenylpyrrolidin-3-ol
CID 11171152
1-[[4-(ethoxymethyl)phenyl]methyl]-2-methyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111924291
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 126848388
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
1-(4-amino-3-ethylphenyl)pyrrolidin-3-ol
CID 22034798
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 104892809
N'-[[4-(ethoxymethyl)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111054161

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol (CID 102551317) is 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol is CCOCc1ccc(N2CCC(O)C2)cc1.
What is the InChIKey of 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is ZGUUOGKDJYGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-10-11-3-5-12(6-4-11)14-8-7-13(15)9-14/h3-6,13,15H,2,7-10H2,1H3.
What are the key properties of 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol?
1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 102551317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).