5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine

C16H18ClNO2 — CID 76330426

IUPAC5-[1-(4-chlorophenoxy)butan-2-yloxy]-2-methylpyridine
SMILESCCC(COC1=CC=C(C=C1)Cl)OC2=CN=C(C=C2)C
InChIInChI=1S/C16H18ClNO2/c1-3-14(20-16-7-4-12(2)18-10-16)11-19-15-8-5-13(17)6-9-15/h4-10,14H,3,11H2,1-2H3
InChIKeyBHXWLSSXUZQNJI-UHFFFAOYSA-N
MW291.77 g/mol
LogP4.50
Rot. Bonds6

About 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine

5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine (PubChem CID 76330426) has the molecular formula C16H18ClNO2 and a molecular weight of 291.77 g/mol. Its IUPAC name is 5-[1-(4-chlorophenoxy)butan-2-yloxy]-2-methylpyridine.

Molecular Properties

Compound Name5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine
PubChem CID76330426
Molecular FormulaC16H18ClNO2
Molecular Weight291.77 g/mol
Exact Mass291.10
IUPAC Name5-[1-(4-chlorophenoxy)butan-2-yloxy]-2-methylpyridine
SMILESCCC(COC1=CC=C(C=C1)Cl)OC2=CN=C(C=C2)C
InChIInChI=1S/C16H18ClNO2/c1-3-14(20-16-7-4-12(2)18-10-16)11-19-15-8-5-13(17)6-9-15/h4-10,14H,3,11H2,1-2H3
InChIKeyBHXWLSSXUZQNJI-UHFFFAOYSA-N
XLogP4.50
TPSA31.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity269

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Benzyloxy)-2-chloropyridine
CID 819374
3-Chloro-4-(2-pyridylmethoxy)aniline
CID 16781212
2-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10263121
3-Phenoxypyridine
CID 200510
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-2-yl-vinyl)-pyridine
CID 10947475
(2S)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-N,N-dimethylpropan-2-amine
CID 44340750
(2R)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-N,N-dimethylpropan-2-amine
CID 44340762
3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enyloxy)-pyridine
CID 44403653
(2S)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9877669
(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9942434
(2S)-1-[(6-chloro-3-pyridinyl)oxy]propan-2-amine
CID 9964291
2-chloro-5-{[(2S)-1-methylazetidin-2-yl]methoxy}pyridine
CID 10705731

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine?
The IUPAC name of 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine (CID 76330426) is 5-[1-(4-chlorophenoxy)butan-2-yloxy]-2-methylpyridine.
What is the SMILES notation for 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine?
The canonical SMILES for 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine is CCC(COC1=CC=C(C=C1)Cl)OC2=CN=C(C=C2)C.
What is the InChIKey of 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine?
The InChIKey is BHXWLSSXUZQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-14(20-16-7-4-12(2)18-10-16)11-19-15-8-5-13(17)6-9-15/h4-10,14H,3,11H2,1-2H3.
What are the key properties of 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine?
5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine has a molecular weight of 291.77 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-Chlorophenoxy)butan-2-yloxy]-2-methylpyridine is sourced from PubChem (CID 76330426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).