5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one

C17H18FNO2 — CID 118028272

IUPAC5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCc1ccc(OCC2CC2)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C17H18FNO2/c1-11-3-6-16(21-10-12-4-5-12)14(7-11)13-8-15(18)17(20)19(2)9-13/h3,6-9,12H,4-5,10H2,1-2H3
InChIKeySZUZGAJTHQPKME-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.29
Rot. Bonds4

About 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one (PubChem CID 118028272) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one
PubChem CID118028272
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCc1ccc(OCC2CC2)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C17H18FNO2/c1-11-3-6-16(21-10-12-4-5-12)14(7-11)13-8-15(18)17(20)19(2)9-13/h3,6-9,12H,4-5,10H2,1-2H3
InChIKeySZUZGAJTHQPKME-UHFFFAOYSA-N
XLogP3.29
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one
CID 90026274
1-Methyl-5-(2-phenoxyphenyl)-2(1h)-pyridinone
CID 90026969
(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide
CID 10735688
4-[4-(Cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 70689923
US10023592, Example 421
CID 118022185
US10023592, Example 427
CID 118022324
US10941160, Example 411
CID 123811664
(E)-3-[4-(1-phenylethoxy)phenyl]-N,N-dipropylbut-2-enamide
CID 10546811
(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide
CID 10567948
(E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide
CID 10614852
(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide
CID 10615917
US10941160, Example 475
CID 123204517

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one (CID 118028272) is 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one is Cc1ccc(OCC2CC2)c(-c2cc(F)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
The InChIKey is SZUZGAJTHQPKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-3-6-16(21-10-12-4-5-12)14(7-11)13-8-15(18)17(20)19(2)9-13/h3,6-9,12H,4-5,10H2,1-2H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one has a molecular weight of 287.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 118028272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).