3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine

C21H20ClNO3 — CID 22247711

IUPAC3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine
SMILESCCC(COc1ccc(Oc2ccccc2)cc1)Oc1ncccc1Cl
InChIInChI=1S/C21H20ClNO3/c1-2-16(26-21-20(22)9-6-14-23-21)15-24-17-10-12-19(13-11-17)25-18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3
InChIKeyGFXVLRSQQUGCDV-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.76
Rot. Bonds8

About 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine

3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine (PubChem CID 22247711) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine.

Molecular Properties

Compound Name3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine
PubChem CID22247711
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine
SMILESCCC(COc1ccc(Oc2ccccc2)cc1)Oc1ncccc1Cl
InChIInChI=1S/C21H20ClNO3/c1-2-16(26-21-20(22)9-6-14-23-21)15-24-17-10-12-19(13-11-17)25-18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3
InChIKeyGFXVLRSQQUGCDV-UHFFFAOYSA-N
XLogP5.76
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine
CID 22247739
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247632
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-[1-(4-phenoxysulfanylphenoxy)butan-2-yloxy]pyridine
CID 22247723
2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
CID 176889482
3-chloro-2-(4-iodophenoxy)pyridine
CID 61400161
2-pentan-3-yloxypyridin-3-amine
CID 45091266
1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
CID 19424117
2-phosphorosooxybutoxybenzene
CID 175007950
3-butan-2-yloxy-2-chloropyridine
CID 65102026
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine?
The IUPAC name of 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine (CID 22247711) is 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine.
What is the SMILES notation for 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine?
The canonical SMILES for 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine is CCC(COc1ccc(Oc2ccccc2)cc1)Oc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine?
The InChIKey is GFXVLRSQQUGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-2-16(26-21-20(22)9-6-14-23-21)15-24-17-10-12-19(13-11-17)25-18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3.
What are the key properties of 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine?
3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine has a molecular weight of 369.85 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine is sourced from PubChem (CID 22247711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).