propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate

C24H22FNO4 — CID 59637659

IUPACpropan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate
SMILESCC(C)OC(=O)COc1cccc(CC(=O)c2cccc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C24H22FNO4/c1-16(2)30-24(28)15-29-20-9-3-6-17(12-20)13-23(27)22-11-5-10-21(26-22)18-7-4-8-19(25)14-18/h3-12,14,16H,13,15H2,1-2H3
InChIKeyDDDLPLYGWYIPJJ-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.64
Rot. Bonds8

About propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate

propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate (PubChem CID 59637659) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate
PubChem CID59637659
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Namepropan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate
SMILESCC(C)OC(=O)COc1cccc(CC(=O)c2cccc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C24H22FNO4/c1-16(2)30-24(28)15-29-20-9-3-6-17(12-20)13-23(27)22-11-5-10-21(26-22)18-7-4-8-19(25)14-18/h3-12,14,16H,13,15H2,1-2H3
InChIKeyDDDLPLYGWYIPJJ-UHFFFAOYSA-N
XLogP4.64
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Picoxystrobin metabolite 13
CID 139595124
(R)-1-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)-2,3-
CID 71722102
lithium 3-[2-[6-[(E)-3-(3-butoxyphenyl)-3-hydroxyprop-1-enyl]-2-pyridinyl]-1-hydroxyethyl]benzoate
CID 23672807
Lithium 3-[2-[6-[3-(3-butoxyphenyl)-3-hydroxypropyl]-2-pyridinyl]-1-hydroxyethyl]benzoate
CID 23672808
(4-Fluoro-3-hydroxyphenyl)-(6-phenoxy-2-pyridinyl)methanone
CID 134136680
[6-(4-Fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155518956
6-[[3-(1-Hydroxyhexyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 13560722
Methyl 6-[[3-(1-hydroxyhexyl)phenoxy]methyl]pyridine-2-carboxylate
CID 21280517
2-(3-(3-(2-(4-methoxybenzoyl)-1H-pyrrol-1-yl)prop-1-enyl)phenoxy)acetic acid
CID 22928715
sodium 2-[3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]acetate
CID 50942026
(R)-2,3-dihydroxy-1-(6-(4-(4-
CID 71735260
US9611222, Example 95
CID 118370671

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate (CID 59637659) is propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate is CC(C)OC(=O)COc1cccc(CC(=O)c2cccc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate?
The InChIKey is DDDLPLYGWYIPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-16(2)30-24(28)15-29-20-9-3-6-17(12-20)13-23(27)22-11-5-10-21(26-22)18-7-4-8-19(25)14-18/h3-12,14,16H,13,15H2,1-2H3.
What are the key properties of propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate?
propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate has a molecular weight of 407.44 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[2-[6-(3-fluorophenyl)-2-pyridinyl]-2-oxoethyl]phenoxy]acetate is sourced from PubChem (CID 59637659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).