2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one

C16H17ClN2O2 — CID 86153581

IUPAC2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one
SMILESCCCCC(Oc1ccc(Cl)cc1)C(=O)c1cnccn1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-4-15(16(20)14-11-18-9-10-19-14)21-13-7-5-12(17)6-8-13/h5-11,15H,2-4H2,1H3
InChIKeyMAIOHAYYUOFLID-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.95
Rot. Bonds7

About 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one

2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one (PubChem CID 86153581) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one
PubChem CID86153581
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one
SMILESCCCCC(Oc1ccc(Cl)cc1)C(=O)c1cnccn1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-4-15(16(20)14-11-18-9-10-19-14)21-13-7-5-12(17)6-8-13/h5-11,15H,2-4H2,1H3
InChIKeyMAIOHAYYUOFLID-UHFFFAOYSA-N
XLogP3.95
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one
CID 19817135
2-(4-chlorophenoxy)-1-pyrimidin-5-ylhexan-1-one
CID 86153664
ethyl 2-(pyrazine-2-carbonyl)hexanoate
CID 21329208
methyl 2-[4-(4-chlorobenzoyl)phenoxy]hexanoate
CID 146594128
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
(2R)-2-phenoxyhexanoic acid
CID 71401043
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856
2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 55862707
2-amino-1-pyrazin-2-ylbutan-1-one
CID 116584056
1-pyrazin-2-ylhexan-1-one
CID 22507174
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one (CID 86153581) is 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one is CCCCC(Oc1ccc(Cl)cc1)C(=O)c1cnccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one?
The InChIKey is MAIOHAYYUOFLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-3-4-15(16(20)14-11-18-9-10-19-14)21-13-7-5-12(17)6-8-13/h5-11,15H,2-4H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one?
2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one has a molecular weight of 304.78 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one is sourced from PubChem (CID 86153581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).