2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one

C17H18ClNO2 — CID 19817135

IUPAC2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one
SMILESCCCCC(Oc1ccc(Cl)cc1)C(=O)c1cccnc1
InChIInChI=1S/C17H18ClNO2/c1-2-3-6-16(17(20)13-5-4-11-19-12-13)21-15-9-7-14(18)8-10-15/h4-5,7-12,16H,2-3,6H2,1H3
InChIKeyMMLUDSXJJCUSEL-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.56
Rot. Bonds7

About 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one

2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one (PubChem CID 19817135) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one
PubChem CID19817135
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one
SMILESCCCCC(Oc1ccc(Cl)cc1)C(=O)c1cccnc1
InChIInChI=1S/C17H18ClNO2/c1-2-3-6-16(17(20)13-5-4-11-19-12-13)21-15-9-7-14(18)8-10-15/h4-5,7-12,16H,2-3,6H2,1H3
InChIKeyMMLUDSXJJCUSEL-UHFFFAOYSA-N
XLogP4.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-pyrimidin-5-ylhexan-1-one
CID 86153664
2-(4-chlorophenoxy)-1-pyrazin-2-ylhexan-1-one
CID 86153581
2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one
CID 86157460
2-(4-tert-butylphenoxy)-1-pyridin-3-ylpentan-1-one
CID 86157446
methyl 2-[4-(4-chlorobenzoyl)phenoxy]hexanoate
CID 146594128
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
(2R)-2-phenoxyhexanoic acid
CID 71401043
2-chloro-1-pyridin-3-ylbutan-1-one
CID 19779673
2-pyridin-3-yloxybutanoic acid
CID 18796174
1-pyridin-3-ylpentan-1-one
CID 12648543
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one (CID 19817135) is 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one is CCCCC(Oc1ccc(Cl)cc1)C(=O)c1cccnc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one?
The InChIKey is MMLUDSXJJCUSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-3-6-16(17(20)13-5-4-11-19-12-13)21-15-9-7-14(18)8-10-15/h4-5,7-12,16H,2-3,6H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one?
2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one has a molecular weight of 303.79 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one is sourced from PubChem (CID 19817135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).