(7-methoxynaphthalen-2-yl) 4-acetylbenzoate

C20H16O4 — CID 58800516

IUPAC(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
SMILESCOc1ccc2ccc(OC(=O)c3ccc(C(C)=O)cc3)cc2c1
InChIInChI=1S/C20H16O4/c1-13(21)14-3-5-16(6-4-14)20(22)24-19-10-8-15-7-9-18(23-2)11-17(15)12-19/h3-12H,1-2H3
InChIKeyIVOKOGKUORUTOX-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.27
Rot. Bonds4

About (7-methoxynaphthalen-2-yl) 4-acetylbenzoate

(7-methoxynaphthalen-2-yl) 4-acetylbenzoate (PubChem CID 58800516) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 4-acetylbenzoate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
PubChem CID58800516
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
SMILESCOc1ccc2ccc(OC(=O)c3ccc(C(C)=O)cc3)cc2c1
InChIInChI=1S/C20H16O4/c1-13(21)14-3-5-16(6-4-14)20(22)24-19-10-8-15-7-9-18(23-2)11-17(15)12-19/h3-12H,1-2H3
InChIKeyIVOKOGKUORUTOX-UHFFFAOYSA-N
XLogP4.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
naphthalen-2-yl 4-methoxybenzoate
CID 532400
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
(7-methoxy-9,10-dihydrophenanthren-2-yl) 6-acetylnaphthalene-2-carboxylate
CID 58800525
[4-[(4-methoxy-2-methylphenyl)methyl]-3-methylphenyl] 4-(4-acetylphenoxy)benzoate
CID 171734138
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(3-chloro-4-methoxyphenyl) 4-acetylbenzoate
CID 21024683
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 134047035
[4-(4-methoxyphenoxy)phenyl] 4-(4-acetylphenyl)sulfanylbenzoate
CID 59273971
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 4-acetylbenzoate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 4-acetylbenzoate (CID 58800516) is (7-methoxynaphthalen-2-yl) 4-acetylbenzoate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 4-acetylbenzoate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 4-acetylbenzoate is COc1ccc2ccc(OC(=O)c3ccc(C(C)=O)cc3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 4-acetylbenzoate?
The InChIKey is IVOKOGKUORUTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-13(21)14-3-5-16(6-4-14)20(22)24-19-10-8-15-7-9-18(23-2)11-17(15)12-19/h3-12H,1-2H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 4-acetylbenzoate?
(7-methoxynaphthalen-2-yl) 4-acetylbenzoate has a molecular weight of 320.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 4-acetylbenzoate is sourced from PubChem (CID 58800516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).