7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one

C19H18O4 — CID 59419878

IUPAC7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(C(=O)C2CCc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C19H18O4/c1-22-14-7-4-13(5-8-14)18(20)16-10-6-12-3-9-15(23-2)11-17(12)19(16)21/h3-5,7-9,11,16H,6,10H2,1-2H3
InChIKeyYYHGSQLYDLPBBY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.33
Rot. Bonds4

About 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one

7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 59419878) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID59419878
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(C(=O)C2CCc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C19H18O4/c1-22-14-7-4-13(5-8-14)18(20)16-10-6-12-3-9-15(23-2)11-17(12)19(16)21/h3-5,7-9,11,16H,6,10H2,1-2H3
InChIKeyYYHGSQLYDLPBBY-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one (CID 59419878) is 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one is COc1ccc(C(=O)C2CCc3ccc(OC)cc3C2=O)cc1.
What is the InChIKey of 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YYHGSQLYDLPBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-22-14-7-4-13(5-8-14)18(20)16-10-6-12-3-9-15(23-2)11-17(12)19(16)21/h3-5,7-9,11,16H,6,10H2,1-2H3.
What are the key properties of 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one?
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 59419878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).