(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol

C12H17NO2 — CID 95732309

IUPAC(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
SMILESCCOc1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C12H17NO2/c1-2-15-12-5-3-10(4-6-12)13-8-7-11(14)9-13/h3-6,11,14H,2,7-9H2,1H3/t11-/m1/s1
InChIKeyCFGHERCRLKYURJ-LLVKDONJSA-N
MW207.27 g/mol
LogP1.66
Rot. Bonds3

About (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol

(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol (PubChem CID 95732309) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
PubChem CID95732309
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
SMILESCCOc1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C12H17NO2/c1-2-15-12-5-3-10(4-6-12)13-8-7-11(14)9-13/h3-6,11,14H,2,7-9H2,1H3/t11-/m1/s1
InChIKeyCFGHERCRLKYURJ-LLVKDONJSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 83982048
1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol
CID 102551317
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
propan-2-yl 1-(4-ethoxyphenyl)pyrrolidine-3-carboxylate
CID 83982034
2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 83982062
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
2-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83982051

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol (CID 95732309) is (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol is CCOc1ccc(N2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol?
The InChIKey is CFGHERCRLKYURJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-15-12-5-3-10(4-6-12)13-8-7-11(14)9-13/h3-6,11,14H,2,7-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol?
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 95732309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).