1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione

C20H16O3 — CID 102495157

IUPAC1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
SMILESCOc1ccc2cc(C(=O)CC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C20H16O3/c1-23-18-10-9-15-11-17(8-7-16(15)12-18)20(22)13-19(21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyYJDUVAVWJXPRKM-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.30
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione

1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione (PubChem CID 102495157) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
PubChem CID102495157
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
SMILESCOc1ccc2cc(C(=O)CC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C20H16O3/c1-23-18-10-9-15-11-17(8-7-16(15)12-18)20(22)13-19(21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyYJDUVAVWJXPRKM-UHFFFAOYSA-N
XLogP4.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-[3-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 153485063
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
4-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298740
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
CID 132933173
2-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 146004513
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
CID 87197273
CID 87197273
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione (CID 102495157) is 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione is COc1ccc2cc(C(=O)CC(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione?
The InChIKey is YJDUVAVWJXPRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-23-18-10-9-15-11-17(8-7-16(15)12-18)20(22)13-19(21)14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione?
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione has a molecular weight of 304.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 102495157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).