1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione

C19H14O3 — CID 56956967

IUPAC1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
SMILESCOc1cccc(C(=O)C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H14O3/c1-22-15-9-4-8-14(12-15)18(20)19(21)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3
InChIKeyXPPOMVQEVAWLIY-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.91
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione

1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione (PubChem CID 56956967) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
PubChem CID56956967
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
SMILESCOc1cccc(C(=O)C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H14O3/c1-22-15-9-4-8-14(12-15)18(20)19(21)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3
InChIKeyXPPOMVQEVAWLIY-UHFFFAOYSA-N
XLogP3.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone
CID 161237326
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
CID 139085652
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione?
The IUPAC name of 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione (CID 56956967) is 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione is COc1cccc(C(=O)C(=O)c2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione?
The InChIKey is XPPOMVQEVAWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-22-15-9-4-8-14(12-15)18(20)19(21)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione?
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione has a molecular weight of 290.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione is sourced from PubChem (CID 56956967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).