1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride

C27H32ClNO2 — CID 24748034

IUPAC1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
SMILESCCOc1ccc(C(O)(c2ccccc2)C(CN2CCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C27H31NO2.ClH/c1-2-30-25-17-15-24(16-18-25)27(29,23-13-7-4-8-14-23)26(21-28-19-9-10-20-28)22-11-5-3-6-12-22;/h3-8,11-18,26,29H,2,9-10,19-21H2,1H3;1H
InChIKeyGNOYUAXMTBNMPX-UHFFFAOYSA-N
MW438.01 g/mol
LogP5.62
Rot. Bonds8

About 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride

1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 24748034) has the molecular formula C27H32ClNO2 and a molecular weight of 438.01 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
PubChem CID24748034
Molecular FormulaC27H32ClNO2
Molecular Weight438.01 g/mol
Exact Mass437.21
IUPAC Name1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
SMILESCCOc1ccc(C(O)(c2ccccc2)C(CN2CCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C27H31NO2.ClH/c1-2-30-25-17-15-24(16-18-25)27(29,23-13-7-4-8-14-23)26(21-28-19-9-10-20-28)22-11-5-3-6-12-22;/h3-8,11-18,26,29H,2,9-10,19-21H2,1H3;1H
InChIKeyGNOYUAXMTBNMPX-UHFFFAOYSA-N
XLogP5.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.01
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-3-(azepan-1-yl)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol
CID 40965480
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(2R,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-yldecan-3-ol
CID 98213589
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 23606947
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride (CID 24748034) is 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride is CCOc1ccc(C(O)(c2ccccc2)C(CN2CCCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is GNOYUAXMTBNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2.ClH/c1-2-30-25-17-15-24(16-18-25)27(29,23-13-7-4-8-14-23)26(21-28-19-9-10-20-28)22-11-5-3-6-12-22;/h3-8,11-18,26,29H,2,9-10,19-21H2,1H3;1H.
What are the key properties of 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 438.01 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 24748034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).