2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone

C25H25Cl2NO4 — CID 24962513

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCc2ccc(C(C)C)cc2)c1OC
InChIInChI=1S/C25H25Cl2NO4/c1-15(2)17-7-5-16(6-8-17)14-32-24-18(9-10-23(30-3)25(24)31-4)22(29)11-19-20(26)12-28-13-21(19)27/h5-10,12-13,15H,11,14H2,1-4H3
InChIKeyMODAQTRGUVRBRE-UHFFFAOYSA-N
MW474.38 g/mol
LogP6.53
Rot. Bonds9

About 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone

2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone (PubChem CID 24962513) has the molecular formula C25H25Cl2NO4 and a molecular weight of 474.38 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
PubChem CID24962513
Molecular FormulaC25H25Cl2NO4
Molecular Weight474.38 g/mol
Exact Mass473.12
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCc2ccc(C(C)C)cc2)c1OC
InChIInChI=1S/C25H25Cl2NO4/c1-15(2)17-7-5-16(6-8-17)14-32-24-18(9-10-23(30-3)25(24)31-4)22(29)11-19-20(26)12-28-13-21(19)27/h5-10,12-13,15H,11,14H2,1-4H3
InChIKeyMODAQTRGUVRBRE-UHFFFAOYSA-N
XLogP6.53
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.38
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone with MolForge

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Related Compounds

methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
CID 24961786
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-prop-2-enoxyphenyl)ethanone
CID 24959221
benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960331
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 67031111
2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
CID 91446208
2-(3,5-dichloro-4-pyridinyl)-1-(2,2-diethyl-7-methoxy-1,3-benzodioxol-4-yl)ethanone
CID 143213221
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115
2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
CID 142942613
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone (CID 24962513) is 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCc2ccc(C(C)C)cc2)c1OC.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone?
The InChIKey is MODAQTRGUVRBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2NO4/c1-15(2)17-7-5-16(6-8-17)14-32-24-18(9-10-23(30-3)25(24)31-4)22(29)11-19-20(26)12-28-13-21(19)27/h5-10,12-13,15H,11,14H2,1-4H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone has a molecular weight of 474.38 g/mol, XLogP of 6.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 24962513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).