1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine

C25H29NO3 — CID 141025412

IUPAC1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine
SMILESCOc1ccc([C@H]2CCCC[C@H]2N2C=CC(Oc3ccccc3)=CC2)cc1OC
InChIInChI=1S/C25H29NO3/c1-27-24-13-12-19(18-25(24)28-2)22-10-6-7-11-23(22)26-16-14-21(15-17-26)29-20-8-4-3-5-9-20/h3-5,8-9,12-16,18,22-23H,6-7,10-11,17H2,1-2H3/t22-,23-/m1/s1
InChIKeyZOZYGPKTBGNPFG-DHIUTWEWSA-N
MW391.51 g/mol
LogP5.52
Rot. Bonds6

About 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine

1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine (PubChem CID 141025412) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine.

Molecular Properties

Compound Name1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine
PubChem CID141025412
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine
SMILESCOc1ccc([C@H]2CCCC[C@H]2N2C=CC(Oc3ccccc3)=CC2)cc1OC
InChIInChI=1S/C25H29NO3/c1-27-24-13-12-19(18-25(24)28-2)22-10-6-7-11-23(22)26-16-14-21(15-17-26)29-20-8-4-3-5-9-20/h3-5,8-9,12-16,18,22-23H,6-7,10-11,17H2,1-2H3/t22-,23-/m1/s1
InChIKeyZOZYGPKTBGNPFG-DHIUTWEWSA-N
XLogP5.52
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 71301921
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
CID 18406745
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-(3,4-dimethoxyphenyl)-1-phenylaziridine
CID 10682448
(2S)-2-(3,4-diphenoxyphenyl)piperidine
CID 171194795
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
CID 58785260

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine?
The IUPAC name of 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine (CID 141025412) is 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine.
What is the SMILES notation for 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine?
The canonical SMILES for 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine is COc1ccc([C@H]2CCCC[C@H]2N2C=CC(Oc3ccccc3)=CC2)cc1OC.
What is the InChIKey of 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine?
The InChIKey is ZOZYGPKTBGNPFG-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H29NO3/c1-27-24-13-12-19(18-25(24)28-2)22-10-6-7-11-23(22)26-16-14-21(15-17-26)29-20-8-4-3-5-9-20/h3-5,8-9,12-16,18,22-23H,6-7,10-11,17H2,1-2H3/t22-,23-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine?
1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine has a molecular weight of 391.51 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine is sourced from PubChem (CID 141025412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).