3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one

C20H18O2 — CID 14472243

IUPAC3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
SMILESCOc1c(CCC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C20H18O2/c1-22-20-17(12-11-15-7-5-6-10-18(15)20)13-14-19(21)16-8-3-2-4-9-16/h2-12H,13-14H2,1H3
InChIKeyWAYMUVFKJMPHAF-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.66
Rot. Bonds5

About 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one

3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one (PubChem CID 14472243) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
PubChem CID14472243
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
SMILESCOc1c(CCC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C20H18O2/c1-22-20-17(12-11-15-7-5-6-10-18(15)20)13-14-19(21)16-8-3-2-4-9-16/h2-12H,13-14H2,1H3
InChIKeyWAYMUVFKJMPHAF-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
CID 103434291
1-methoxy-2-propylnaphthalene
CID 19091368
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
CID 82185648
3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
CID 56688148
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid
CID 19782206
methyl 2-(3-oxo-3-phenylpropyl)benzoate
CID 122221957
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
2-benzyl-1-methoxynaphthalene
CID 15617899
2-(4-chlorobutyl)-1-methoxynaphthalene
CID 15617937

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one (CID 14472243) is 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one is COc1c(CCC(=O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one?
The InChIKey is WAYMUVFKJMPHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-22-20-17(12-11-15-7-5-6-10-18(15)20)13-14-19(21)16-8-3-2-4-9-16/h2-12H,13-14H2,1H3.
What are the key properties of 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one?
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 14472243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).