1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one

C19H23NO2 — CID 147995396

IUPAC1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C(C)(C)CC)cc2)nc1
InChIInChI=1S/C19H23NO2/c1-5-17(21)14-7-12-18(20-13-14)22-16-10-8-15(9-11-16)19(3,4)6-2/h7-13H,5-6H2,1-4H3
InChIKeyIVXCUYHCKILFKO-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.15
Rot. Bonds6

About 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one

1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one (PubChem CID 147995396) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
PubChem CID147995396
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C(C)(C)CC)cc2)nc1
InChIInChI=1S/C19H23NO2/c1-5-17(21)14-7-12-18(20-13-14)22-16-10-8-15(9-11-16)19(3,4)6-2/h7-13H,5-6H2,1-4H3
InChIKeyIVXCUYHCKILFKO-UHFFFAOYSA-N
XLogP5.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]propan-1-one
CID 162250472
2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
CID 80626968
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide
CID 59729915
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
CID 83111249
methyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 147220326

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one (CID 147995396) is 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(C(C)(C)CC)cc2)nc1.
What is the InChIKey of 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one?
The InChIKey is IVXCUYHCKILFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-17(21)14-7-12-18(20-13-14)22-16-10-8-15(9-11-16)19(3,4)6-2/h7-13H,5-6H2,1-4H3.
What are the key properties of 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one?
1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one is sourced from PubChem (CID 147995396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).