2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine

C22H23NO2 — CID 177434785

IUPAC2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccccn2)c([C@H](CCc2ccccc2)OC)c1
InChIInChI=1S/C22H23NO2/c1-24-18-12-13-19(21-10-6-7-15-23-21)20(16-18)22(25-2)14-11-17-8-4-3-5-9-17/h3-10,12-13,15-16,22H,11,14H2,1-2H3/t22-/m0/s1
InChIKeyYWUMDTAAJPGVEK-QFIPXVFZSA-N
MW333.43 g/mol
LogP5.08
Rot. Bonds7

About 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine

2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine (PubChem CID 177434785) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine
PubChem CID177434785
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccccn2)c([C@H](CCc2ccccc2)OC)c1
InChIInChI=1S/C22H23NO2/c1-24-18-12-13-19(21-10-6-7-15-23-21)20(16-18)22(25-2)14-11-17-8-4-3-5-9-17/h3-10,12-13,15-16,22H,11,14H2,1-2H3/t22-/m0/s1
InChIKeyYWUMDTAAJPGVEK-QFIPXVFZSA-N
XLogP5.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-methoxy-4-pyridin-2-ylphenyl)methanol
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3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one
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1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
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1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
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2-(3,4-dimethoxy-5-pyridin-2-ylphenyl)ethanamine
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1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine?
The IUPAC name of 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine (CID 177434785) is 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine?
The canonical SMILES for 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine is COc1ccc(-c2ccccn2)c([C@H](CCc2ccccc2)OC)c1.
What is the InChIKey of 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine?
The InChIKey is YWUMDTAAJPGVEK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23NO2/c1-24-18-12-13-19(21-10-6-7-15-23-21)20(16-18)22(25-2)14-11-17-8-4-3-5-9-17/h3-10,12-13,15-16,22H,11,14H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine?
2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine has a molecular weight of 333.43 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine is sourced from PubChem (CID 177434785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).