1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one

C19H17NO2 — CID 10684981

IUPAC1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one
SMILESCOc1cc2ccccc2cc1C(=O)CCc1ccncc1
InChIInChI=1S/C19H17NO2/c1-22-19-13-16-5-3-2-4-15(16)12-17(19)18(21)7-6-14-8-10-20-11-9-14/h2-5,8-13H,6-7H2,1H3
InChIKeyNKEWOVVOUJVUGH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.06
Rot. Bonds5

About 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one

1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 10684981) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID10684981
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one
SMILESCOc1cc2ccccc2cc1C(=O)CCc1ccncc1
InChIInChI=1S/C19H17NO2/c1-22-19-13-16-5-3-2-4-15(16)12-17(19)18(21)7-6-14-8-10-20-11-9-14/h2-5,8-13H,6-7H2,1H3
InChIKeyNKEWOVVOUJVUGH-UHFFFAOYSA-N
XLogP4.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 43339718
CID 101146176
CID 101146176
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
methyl 3-pyridin-4-ylpropanoate
CID 3704115

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one (CID 10684981) is 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one is COc1cc2ccccc2cc1C(=O)CCc1ccncc1.
What is the InChIKey of 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is NKEWOVVOUJVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-22-19-13-16-5-3-2-4-15(16)12-17(19)18(21)7-6-14-8-10-20-11-9-14/h2-5,8-13H,6-7H2,1H3.
What are the key properties of 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one?
1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 291.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 10684981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).