3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C16H24ClNO2 — CID 83937613

IUPAC3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1cc(C)c(Cl)cc1C(CCO)N1CCCC1
InChIInChI=1S/C16H24ClNO2/c1-3-20-16-10-12(2)14(17)11-13(16)15(6-9-19)18-7-4-5-8-18/h10-11,15,19H,3-9H2,1-2H3
InChIKeyRVNIMJGOQOJYLO-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.57
Rot. Bonds6

About 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83937613) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83937613
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1cc(C)c(Cl)cc1C(CCO)N1CCCC1
InChIInChI=1S/C16H24ClNO2/c1-3-20-16-10-12(2)14(17)11-13(16)15(6-9-19)18-7-4-5-8-18/h10-11,15,19H,3-9H2,1-2H3
InChIKeyRVNIMJGOQOJYLO-UHFFFAOYSA-N
XLogP3.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83941206
3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83921882
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83940835
2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937610
2-[4-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376327
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-(5-chloro-2-ethoxy-4-methylphenyl)heptane-2,3-diol
CID 83937694
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
CID 83922970
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 55567555

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 83937613) is 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is CCOc1cc(C)c(Cl)cc1C(CCO)N1CCCC1.
What is the InChIKey of 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is RVNIMJGOQOJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-20-16-10-12(2)14(17)11-13(16)15(6-9-19)18-7-4-5-8-18/h10-11,15,19H,3-9H2,1-2H3.
What are the key properties of 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83937613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).