1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone

C16H16ClNO3 — CID 62029294

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone
SMILESCOc1ccc(C(=O)COCCc2ccccn2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-20-16-6-5-12(10-14(16)17)15(19)11-21-9-7-13-4-2-3-8-18-13/h2-6,8,10H,7,9,11H2,1H3
InChIKeyMTNQBAJLKDYXSW-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.19
Rot. Bonds7

About 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone

1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone (PubChem CID 62029294) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone
PubChem CID62029294
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone
SMILESCOc1ccc(C(=O)COCCc2ccccn2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-20-16-6-5-12(10-14(16)17)15(19)11-21-9-7-13-4-2-3-8-18-13/h2-6,8,10H,7,9,11H2,1H3
InChIKeyMTNQBAJLKDYXSW-UHFFFAOYSA-N
XLogP3.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone
CID 62030040
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
1-(3-chloro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43222130
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 7627379
3-chloro-4-(2-pyridin-2-ylethoxy)benzenecarbothioamide
CID 61389061
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7626583
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone (CID 62029294) is 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone is COc1ccc(C(=O)COCCc2ccccn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
The InChIKey is MTNQBAJLKDYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-16-6-5-12(10-14(16)17)15(19)11-21-9-7-13-4-2-3-8-18-13/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone?
1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone has a molecular weight of 305.76 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone is sourced from PubChem (CID 62029294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).