2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine

C18H22ClNO4 — CID 166530051

IUPAC2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine
SMILESCOCC(COc1cc(OCc2ccccc2)c(C)c(Cl)n1)OC
InChIInChI=1S/C18H22ClNO4/c1-13-16(23-10-14-7-5-4-6-8-14)9-17(20-18(13)19)24-12-15(22-3)11-21-2/h4-9,15H,10-12H2,1-3H3
InChIKeyYCHBYXSYQCEFNJ-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.66
Rot. Bonds9

About 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine

2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine (PubChem CID 166530051) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine.

Molecular Properties

Compound Name2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine
PubChem CID166530051
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine
SMILESCOCC(COc1cc(OCc2ccccc2)c(C)c(Cl)n1)OC
InChIInChI=1S/C18H22ClNO4/c1-13-16(23-10-14-7-5-4-6-8-14)9-17(20-18(13)19)24-12-15(22-3)11-21-2/h4-9,15H,10-12H2,1-3H3
InChIKeyYCHBYXSYQCEFNJ-UHFFFAOYSA-N
XLogP3.66
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
2,3-dimethoxypropoxymethylbenzene;ethane;pyrene
CID 161050908
6-chloro-3-methoxy-2-methyl-4-phenylmethoxypyridine
CID 169250017
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 7324300
6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine
CID 146251873
(4-methoxy-3-phenylmethoxyphenyl)methyl-(1-methoxypropan-2-yl)azanium
CID 4745399
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
(6-chloro-5-phenylmethoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane
CID 131746417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine?
The IUPAC name of 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine (CID 166530051) is 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine.
What is the SMILES notation for 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine?
The canonical SMILES for 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine is COCC(COc1cc(OCc2ccccc2)c(C)c(Cl)n1)OC.
What is the InChIKey of 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine?
The InChIKey is YCHBYXSYQCEFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4/c1-13-16(23-10-14-7-5-4-6-8-14)9-17(20-18(13)19)24-12-15(22-3)11-21-2/h4-9,15H,10-12H2,1-3H3.
What are the key properties of 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine?
2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine has a molecular weight of 351.83 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine is sourced from PubChem (CID 166530051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).