1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C17H27NO3 — CID 82073667

IUPAC1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1ccc(C(O)CCN2CCCC2)cc1OCC
InChIInChI=1S/C17H27NO3/c1-3-20-16-8-7-14(13-17(16)21-4-2)15(19)9-12-18-10-5-6-11-18/h7-8,13,15,19H,3-6,9-12H2,1-2H3
InChIKeyZUNGBSYZZRWWSK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 82073667) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID82073667
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1ccc(C(O)CCN2CCCC2)cc1OCC
InChIInChI=1S/C17H27NO3/c1-3-20-16-8-7-14(13-17(16)21-4-2)15(19)9-12-18-10-5-6-11-18/h7-8,13,15,19H,3-6,9-12H2,1-2H3
InChIKeyZUNGBSYZZRWWSK-UHFFFAOYSA-N
XLogP3.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82135922
1-(3-amino-4-ethoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135912
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
CID 144811393
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 82073667) is 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is CCOc1ccc(C(O)CCN2CCCC2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is ZUNGBSYZZRWWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-20-16-8-7-14(13-17(16)21-4-2)15(19)9-12-18-10-5-6-11-18/h7-8,13,15,19H,3-6,9-12H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 82073667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).