[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate

C24H18O4 — CID 123134091

IUPAC[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate
SMILESCC(=O)Oc1cc(-c2ccc(OC(C)=O)c3ccccc23)c2ccccc2c1
InChIInChI=1S/C24H18O4/c1-15(25)27-18-13-17-7-3-4-8-19(17)23(14-18)21-11-12-24(28-16(2)26)22-10-6-5-9-20(21)22/h3-14H,1-2H3
InChIKeyOVJHVFPGAGZMKN-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.51
Rot. Bonds3

About [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate

[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate (PubChem CID 123134091) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate.

Molecular Properties

Compound Name[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate
PubChem CID123134091
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate
SMILESCC(=O)Oc1cc(-c2ccc(OC(C)=O)c3ccccc23)c2ccccc2c1
InChIInChI=1S/C24H18O4/c1-15(25)27-18-13-17-7-3-4-8-19(17)23(14-18)21-11-12-24(28-16(2)26)22-10-6-5-9-20(21)22/h3-14H,1-2H3
InChIKeyOVJHVFPGAGZMKN-UHFFFAOYSA-N
XLogP5.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.51
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-methoxynaphthalen-1-yl) acetate
CID 11424471
(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
CID 19871375
methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate
CID 154942920
(3-sulfanylnaphthalen-1-yl) acetate
CID 152863345
(4-acetamidoanthracen-1-yl) acetate
CID 175270298
(4-formylnaphthalen-1-yl) acetate
CID 15584813
[4-(4-carboxyoxynaphthalen-1-yl)naphthalen-1-yl] hydrogen carbonate
CID 70395721
[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate
CID 154707043
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
[4-(2-cyclohexyl-2-oxoethyl)naphthalen-2-yl] acetate
CID 102587453
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(6-methylnaphthalen-1-yl) acetate
CID 14143439

Frequently Asked Questions

What is the IUPAC name of [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate?
The IUPAC name of [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate (CID 123134091) is [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate.
What is the SMILES notation for [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate?
The canonical SMILES for [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate is CC(=O)Oc1cc(-c2ccc(OC(C)=O)c3ccccc23)c2ccccc2c1.
What is the InChIKey of [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate?
The InChIKey is OVJHVFPGAGZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-15(25)27-18-13-17-7-3-4-8-19(17)23(14-18)21-11-12-24(28-16(2)26)22-10-6-5-9-20(21)22/h3-14H,1-2H3.
What are the key properties of [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate?
[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate has a molecular weight of 370.40 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate is sourced from PubChem (CID 123134091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).