phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate

C24H25NO6 — CID 175169197

IUPACphenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate
SMILESCOc1cc(CCc2cncc(C(=O)Oc3ccccc3)c2)c(OC)c(OC)c1OC
InChIInChI=1S/C24H25NO6/c1-27-20-13-17(21(28-2)23(30-4)22(20)29-3)11-10-16-12-18(15-25-14-16)24(26)31-19-8-6-5-7-9-19/h5-9,12-15H,10-11H2,1-4H3
InChIKeyUCGLZNSIWUUGGY-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.12
Rot. Bonds9

About phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate

phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate (PubChem CID 175169197) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namephenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate
PubChem CID175169197
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Namephenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate
SMILESCOc1cc(CCc2cncc(C(=O)Oc3ccccc3)c2)c(OC)c(OC)c1OC
InChIInChI=1S/C24H25NO6/c1-27-20-13-17(21(28-2)23(30-4)22(20)29-3)11-10-16-12-18(15-25-14-16)24(26)31-19-8-6-5-7-9-19/h5-9,12-15H,10-11H2,1-4H3
InChIKeyUCGLZNSIWUUGGY-UHFFFAOYSA-N
XLogP4.12
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
(3,4-dimethoxy-5-methylphenyl) benzoate
CID 71511932
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxyphenyl] benzoate
CID 171345656
2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide
CID 164754536
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate
CID 55266237
methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
CID 177349061
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
[2-methoxy-4-(oxiran-2-ylmethyl)phenyl] pyridine-3-carboxylate
CID 44624842

Frequently Asked Questions

What is the IUPAC name of phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate?
The IUPAC name of phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate (CID 175169197) is phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate.
What is the SMILES notation for phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate?
The canonical SMILES for phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate is COc1cc(CCc2cncc(C(=O)Oc3ccccc3)c2)c(OC)c(OC)c1OC.
What is the InChIKey of phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate?
The InChIKey is UCGLZNSIWUUGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-27-20-13-17(21(28-2)23(30-4)22(20)29-3)11-10-16-12-18(15-25-14-16)24(26)31-19-8-6-5-7-9-19/h5-9,12-15H,10-11H2,1-4H3.
What are the key properties of phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate?
phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 175169197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).