(2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate

C15H19NO3 — CID 117125742

IUPAC(2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate
SMILESCOc1ccccc1OC(=O)CCC1=CCCNC1
InChIInChI=1S/C15H19NO3/c1-18-13-6-2-3-7-14(13)19-15(17)9-8-12-5-4-10-16-11-12/h2-3,5-7,16H,4,8-11H2,1H3
InChIKeyFFHCFOHEKRHGRZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.30
Rot. Bonds5

About (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate

(2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate (PubChem CID 117125742) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate
PubChem CID117125742
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate
SMILESCOc1ccccc1OC(=O)CCC1=CCCNC1
InChIInChI=1S/C15H19NO3/c1-18-13-6-2-3-7-14(13)19-15(17)9-8-12-5-4-10-16-11-12/h2-3,5-7,16H,4,8-11H2,1H3
InChIKeyFFHCFOHEKRHGRZ-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-methoxyphenyl) 3-(4-cyanophenyl)propanoate
CID 41484194
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
1-O-decyl 7-O-(2-methoxyphenyl) heptanedioate
CID 91712325
4-O-(2-methoxyphenyl) 1-O-(3-methylbut-2-enyl) butanedioate
CID 91712127
(2-nonanoyloxyphenyl) undecanoate
CID 90023956
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
4-O-decan-2-yl 1-O-(2-methoxyphenyl) butanedioate
CID 91712383
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(5-butyl-2-methoxyphenyl) 3-phenylpropanoate
CID 69351156

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate?
The IUPAC name of (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate (CID 117125742) is (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate.
What is the SMILES notation for (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate?
The canonical SMILES for (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate is COc1ccccc1OC(=O)CCC1=CCCNC1.
What is the InChIKey of (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate?
The InChIKey is FFHCFOHEKRHGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-13-6-2-3-7-14(13)19-15(17)9-8-12-5-4-10-16-11-12/h2-3,5-7,16H,4,8-11H2,1H3.
What are the key properties of (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate?
(2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate has a molecular weight of 261.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-(1,2,3,6-tetrahydropyridin-5-yl)propanoate is sourced from PubChem (CID 117125742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).