3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one

C20H14O2 — CID 102165233

IUPAC3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one
SMILESCOc1ccc2ccccc2c1C#CC(=O)c1ccccc1
InChIInChI=1S/C20H14O2/c1-22-20-14-11-15-7-5-6-10-17(15)18(20)12-13-19(21)16-8-3-2-4-9-16/h2-11,14H,1H3
InChIKeyQPOBXYNXZHHRNF-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.08
Rot. Bonds2

About 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one

3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one (PubChem CID 102165233) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one
PubChem CID102165233
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one
SMILESCOc1ccc2ccccc2c1C#CC(=O)c1ccccc1
InChIInChI=1S/C20H14O2/c1-22-20-14-11-15-7-5-6-10-17(15)18(20)12-13-19(21)16-8-3-2-4-9-16/h2-11,14H,1H3
InChIKeyQPOBXYNXZHHRNF-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate
CID 10869343
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
1-hepta-1,6-diynyl-2-methoxynaphthalene
CID 46845898
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
1-[1-adamantyl-[2-(2-methoxynaphthalen-1-yl)ethynyl]phosphoryl]adamantane
CID 135074926
3-methoxy-1-phenylprop-2-yn-1-one
CID 154279908
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylprop-2-yn-1-one
CID 169002345
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one (CID 102165233) is 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one is COc1ccc2ccccc2c1C#CC(=O)c1ccccc1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one?
The InChIKey is QPOBXYNXZHHRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-22-20-14-11-15-7-5-6-10-17(15)18(20)12-13-19(21)16-8-3-2-4-9-16/h2-11,14H,1H3.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one?
3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one is sourced from PubChem (CID 102165233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).