(5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one

C18H21NO2 — CID 162400292

IUPAC(5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one
SMILESCCC(=O)C[C@H](C)c1ccc(OC)cc1-c1ccccn1
InChIInChI=1S/C18H21NO2/c1-4-14(20)11-13(2)16-9-8-15(21-3)12-17(16)18-7-5-6-10-19-18/h5-10,12-13H,4,11H2,1-3H3/t13-/m0/s1
InChIKeyMAVJKWUDPNPJPV-ZDUSSCGKSA-N
MW283.37 g/mol
LogP4.23
Rot. Bonds6

About (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one

(5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one (PubChem CID 162400292) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one.

Molecular Properties

Compound Name(5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one
PubChem CID162400292
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one
SMILESCCC(=O)C[C@H](C)c1ccc(OC)cc1-c1ccccn1
InChIInChI=1S/C18H21NO2/c1-4-14(20)11-13(2)16-9-8-15(21-3)12-17(16)18-7-5-6-10-19-18/h5-10,12-13H,4,11H2,1-3H3/t13-/m0/s1
InChIKeyMAVJKWUDPNPJPV-ZDUSSCGKSA-N
XLogP4.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-pyridin-2-ylpyridine
CID 604153
2-(2-ethynyl-5-methoxyphenyl)pyridine
CID 87144328
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469
(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
2-[4-methoxy-2-[(1S)-1-methoxy-3-phenylpropyl]phenyl]pyridine
CID 177434785
(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one
CID 143032683
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134053732
(4-propan-2-yloxy-2-pyridin-2-ylphenyl)methanamine
CID 174880823
3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
CID 86186012
2-(4-methoxyphenyl)-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714393
N-(3-methoxyphenyl)-2-pyridin-2-ylbenzamide
CID 140997803
2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine
CID 162398238

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one?
The IUPAC name of (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one (CID 162400292) is (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one.
What is the SMILES notation for (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one?
The canonical SMILES for (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one is CCC(=O)C[C@H](C)c1ccc(OC)cc1-c1ccccn1.
What is the InChIKey of (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one?
The InChIKey is MAVJKWUDPNPJPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-14(20)11-13(2)16-9-8-15(21-3)12-17(16)18-7-5-6-10-19-18/h5-10,12-13H,4,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one?
(5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one has a molecular weight of 283.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxy-2-pyridin-2-ylphenyl)hexan-3-one is sourced from PubChem (CID 162400292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).