(6-acetylnaphthalen-2-yl) 4-methoxybenzoate

C20H16O4 — CID 59109365

IUPAC(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3cc(C(C)=O)ccc3c2)cc1
InChIInChI=1S/C20H16O4/c1-13(21)15-3-4-17-12-19(10-7-16(17)11-15)24-20(22)14-5-8-18(23-2)9-6-14/h3-12H,1-2H3
InChIKeyZTWFGUQOINMLIN-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.27
Rot. Bonds4

About (6-acetylnaphthalen-2-yl) 4-methoxybenzoate

(6-acetylnaphthalen-2-yl) 4-methoxybenzoate (PubChem CID 59109365) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (6-acetylnaphthalen-2-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
PubChem CID59109365
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3cc(C(C)=O)ccc3c2)cc1
InChIInChI=1S/C20H16O4/c1-13(21)15-3-4-17-12-19(10-7-16(17)11-15)24-20(22)14-5-8-18(23-2)9-6-14/h3-12H,1-2H3
InChIKeyZTWFGUQOINMLIN-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

(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
CID 58800516
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(7-methoxy-9,10-dihydrophenanthren-2-yl) 6-acetylnaphthalene-2-carboxylate
CID 58800525
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
CID 158794651
(3-chloro-4-methoxyphenyl) 4-acetylbenzoate
CID 21024683
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764

Frequently Asked Questions

What is the IUPAC name of (6-acetylnaphthalen-2-yl) 4-methoxybenzoate?
The IUPAC name of (6-acetylnaphthalen-2-yl) 4-methoxybenzoate (CID 59109365) is (6-acetylnaphthalen-2-yl) 4-methoxybenzoate.
What is the SMILES notation for (6-acetylnaphthalen-2-yl) 4-methoxybenzoate?
The canonical SMILES for (6-acetylnaphthalen-2-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc3cc(C(C)=O)ccc3c2)cc1.
What is the InChIKey of (6-acetylnaphthalen-2-yl) 4-methoxybenzoate?
The InChIKey is ZTWFGUQOINMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-13(21)15-3-4-17-12-19(10-7-16(17)11-15)24-20(22)14-5-8-18(23-2)9-6-14/h3-12H,1-2H3.
What are the key properties of (6-acetylnaphthalen-2-yl) 4-methoxybenzoate?
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate 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 (6-acetylnaphthalen-2-yl) 4-methoxybenzoate is sourced from PubChem (CID 59109365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).