1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

C25H33NO5 — CID 42928028

IUPAC1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESCOc1cc(OC)c(C2=CCN(CC(O)COc3ccc(C)cc3C)CC2)c(OC)c1
InChIInChI=1S/C25H33NO5/c1-17-6-7-22(18(2)12-17)31-16-20(27)15-26-10-8-19(9-11-26)25-23(29-4)13-21(28-3)14-24(25)30-5/h6-8,12-14,20,27H,9-11,15-16H2,1-5H3
InChIKeyCEAFUTWUMAMDHE-UHFFFAOYSA-N
MW427.54 g/mol
LogP3.86
Rot. Bonds9

About 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (PubChem CID 42928028) has the molecular formula C25H33NO5 and a molecular weight of 427.54 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
PubChem CID42928028
Molecular FormulaC25H33NO5
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Name1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESCOc1cc(OC)c(C2=CCN(CC(O)COc3ccc(C)cc3C)CC2)c(OC)c1
InChIInChI=1S/C25H33NO5/c1-17-6-7-22(18(2)12-17)31-16-20(27)15-26-10-8-19(9-11-26)25-23(29-4)13-21(28-3)14-24(25)30-5/h6-8,12-14,20,27H,9-11,15-16H2,1-5H3
InChIKeyCEAFUTWUMAMDHE-UHFFFAOYSA-N
XLogP3.86
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318
1-(2,4-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 24761594
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
1-(2-methylphenoxy)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 21465447
1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2770308
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 30629645
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
cyclopropyl-[4-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 52533613
(2R)-1-[5-methoxy-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97283453
(2R)-2-(4-methylphenoxy)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 42280733
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1036651

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (CID 42928028) is 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is COc1cc(OC)c(C2=CCN(CC(O)COc3ccc(C)cc3C)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The InChIKey is CEAFUTWUMAMDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5/c1-17-6-7-22(18(2)12-17)31-16-20(27)15-26-10-8-19(9-11-26)25-23(29-4)13-21(28-3)14-24(25)30-5/h6-8,12-14,20,27H,9-11,15-16H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol has a molecular weight of 427.54 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 42928028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).