(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

C17H19NO3 — CID 115794697

IUPAC(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCOc1cc(C(=O)c2cncc(OC(C)C)c2)ccc1C
InChIInChI=1S/C17H19NO3/c1-11(2)21-15-7-14(9-18-10-15)17(19)13-6-5-12(3)16(8-13)20-4/h5-11H,1-4H3
InChIKeyYEPJIWNGMFSGOU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.42
Rot. Bonds5

About (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 115794697) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID115794697
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCOc1cc(C(=O)c2cncc(OC(C)C)c2)ccc1C
InChIInChI=1S/C17H19NO3/c1-11(2)21-15-7-14(9-18-10-15)17(19)13-6-5-12(3)16(8-13)20-4/h5-11H,1-4H3
InChIKeyYEPJIWNGMFSGOU-UHFFFAOYSA-N
XLogP3.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 115794697) is (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is COc1cc(C(=O)c2cncc(OC(C)C)c2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is YEPJIWNGMFSGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(2)21-15-7-14(9-18-10-15)17(19)13-6-5-12(3)16(8-13)20-4/h5-11H,1-4H3.
What are the key properties of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 285.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 115794697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).