(4-acetylphenyl) 2-naphthalen-2-ylacetate

C20H16O3 — CID 8764059

IUPAC(4-acetylphenyl) 2-naphthalen-2-ylacetate
SMILESCC(=O)c1ccc(OC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O3/c1-14(21)16-8-10-19(11-9-16)23-20(22)13-15-6-7-17-4-2-3-5-18(17)12-15/h2-12H,13H2,1H3
InChIKeyCUTSNGYNQMHVJK-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.19
Rot. Bonds4

About (4-acetylphenyl) 2-naphthalen-2-ylacetate

(4-acetylphenyl) 2-naphthalen-2-ylacetate (PubChem CID 8764059) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4-acetylphenyl) 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-naphthalen-2-ylacetate
PubChem CID8764059
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(4-acetylphenyl) 2-naphthalen-2-ylacetate
SMILESCC(=O)c1ccc(OC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O3/c1-14(21)16-8-10-19(11-9-16)23-20(22)13-15-6-7-17-4-2-3-5-18(17)12-15/h2-12H,13H2,1H3
InChIKeyCUTSNGYNQMHVJK-UHFFFAOYSA-N
XLogP4.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 16849660
iodo 2-naphthalen-2-ylacetate
CID 129274840
CID 162695032
CID 162695032
tris[(2-naphthalen-2-ylacetyl)oxy]stannyl 2-naphthalen-2-ylacetate
CID 141032751
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylacetate
CID 7828500
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
CID 149336494
trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
CID 15225296
2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
CID 101047899
(4-acetylphenyl) but-3-enoate
CID 139889155
(6-benzylnaphthalen-2-yl) acetate
CID 132602814

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-naphthalen-2-ylacetate?
The IUPAC name of (4-acetylphenyl) 2-naphthalen-2-ylacetate (CID 8764059) is (4-acetylphenyl) 2-naphthalen-2-ylacetate.
What is the SMILES notation for (4-acetylphenyl) 2-naphthalen-2-ylacetate?
The canonical SMILES for (4-acetylphenyl) 2-naphthalen-2-ylacetate is CC(=O)c1ccc(OC(=O)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of (4-acetylphenyl) 2-naphthalen-2-ylacetate?
The InChIKey is CUTSNGYNQMHVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-14(21)16-8-10-19(11-9-16)23-20(22)13-15-6-7-17-4-2-3-5-18(17)12-15/h2-12H,13H2,1H3.
What are the key properties of (4-acetylphenyl) 2-naphthalen-2-ylacetate?
(4-acetylphenyl) 2-naphthalen-2-ylacetate has a molecular weight of 304.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-naphthalen-2-ylacetate is sourced from PubChem (CID 8764059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).