3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine

C28H33NO5 — CID 71713014

IUPAC3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine
SMILESCOc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OCCc3cccnc3)c(OC)c2)cc1OC
InChIInChI=1S/C28H33NO5/c1-30-25-8-6-21(15-27(25)31-2)13-23-18-33-19-24(23)14-22-7-9-26(28(16-22)32-3)34-12-10-20-5-4-11-29-17-20/h4-9,11,15-17,23-24H,10,12-14,18-19H2,1-3H3/t23-,24-/m0/s1
InChIKeyUAHWPBAMCPTUDE-ZEQRLZLVSA-N
MW463.57 g/mol
LogP4.78
Rot. Bonds11

About 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine

3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine (PubChem CID 71713014) has the molecular formula C28H33NO5 and a molecular weight of 463.57 g/mol. Its IUPAC name is 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine
PubChem CID71713014
Molecular FormulaC28H33NO5
Molecular Weight463.57 g/mol
Exact Mass463.24
IUPAC Name3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine
SMILESCOc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OCCc3cccnc3)c(OC)c2)cc1OC
InChIInChI=1S/C28H33NO5/c1-30-25-8-6-21(15-27(25)31-2)13-23-18-33-19-24(23)14-22-7-9-26(28(16-22)32-3)34-12-10-20-5-4-11-29-17-20/h4-9,11,15-17,23-24H,10,12-14,18-19H2,1-3H3/t23-,24-/m0/s1
InChIKeyUAHWPBAMCPTUDE-ZEQRLZLVSA-N
XLogP4.78
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine?
The IUPAC name of 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine (CID 71713014) is 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine.
What is the SMILES notation for 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine?
The canonical SMILES for 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine is COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OCCc3cccnc3)c(OC)c2)cc1OC.
What is the InChIKey of 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine?
The InChIKey is UAHWPBAMCPTUDE-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H33NO5/c1-30-25-8-6-21(15-27(25)31-2)13-23-18-33-19-24(23)14-22-7-9-26(28(16-22)32-3)34-12-10-20-5-4-11-29-17-20/h4-9,11,15-17,23-24H,10,12-14,18-19H2,1-3H3/t23-,24-/m0/s1.
What are the key properties of 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine?
3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine has a molecular weight of 463.57 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]ethyl]pyridine is sourced from PubChem (CID 71713014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).