3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one

C16H20ClNO3 — CID 153451275

IUPAC3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(Cl)CC=C1c1ccc(OCOC)cc1C
InChIInChI=1S/C16H20ClNO3/c1-4-18-15(8-7-14(17)16(18)19)13-6-5-12(9-11(13)2)21-10-20-3/h5-6,8-9,14H,4,7,10H2,1-3H3
InChIKeyJRSCMFNSYNXSKM-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.18
Rot. Bonds5

About 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one

3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one (PubChem CID 153451275) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
PubChem CID153451275
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(Cl)CC=C1c1ccc(OCOC)cc1C
InChIInChI=1S/C16H20ClNO3/c1-4-18-15(8-7-14(17)16(18)19)13-6-5-12(9-11(13)2)21-10-20-3/h5-6,8-9,14H,4,7,10H2,1-3H3
InChIKeyJRSCMFNSYNXSKM-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153451361
3-chloro-6-[2-chloro-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
CID 153451938
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153450917
3-chloro-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-enoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451558
1-ethyl-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153450365
1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
CID 153451379
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153451001
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451404
3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one
CID 153451355
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451291
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451550
3-bromo-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451057

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one (CID 153451275) is 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one is CCN1C(=O)C(Cl)CC=C1c1ccc(OCOC)cc1C.
What is the InChIKey of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one?
The InChIKey is JRSCMFNSYNXSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-4-18-15(8-7-14(17)16(18)19)13-6-5-12(9-11(13)2)21-10-20-3/h5-6,8-9,14H,4,7,10H2,1-3H3.
What are the key properties of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one?
3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one has a molecular weight of 309.79 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).