(3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate

C25H20O3 — CID 175246613

IUPAC(3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate
SMILESCC(=O)OCC(C(=O)c1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C25H20O3/c1-17(26)28-16-24(21-14-13-18-7-2-3-9-20(18)15-21)25(27)23-12-6-10-19-8-4-5-11-22(19)23/h2-15,24H,16H2,1H3
InChIKeyMXFVINPCXBZTCS-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.52
Rot. Bonds5

About (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate

(3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate (PubChem CID 175246613) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate.

Molecular Properties

Compound Name(3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate
PubChem CID175246613
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name(3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate
SMILESCC(=O)OCC(C(=O)c1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C25H20O3/c1-17(26)28-16-24(21-14-13-18-7-2-3-9-20(18)15-21)25(27)23-12-6-10-19-8-4-5-11-22(19)23/h2-15,24H,16H2,1H3
InChIKeyMXFVINPCXBZTCS-UHFFFAOYSA-N
XLogP5.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
2-naphthalen-2-ylbutanoic acid
CID 27266
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)propyl 2-acetyloxybenzoate
CID 21421799
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
2-naphthalen-1-yloxyethyl acetate
CID 23049663
1-(7-propan-2-ylnaphthalen-1-yl)ethanone
CID 14250513
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878

Frequently Asked Questions

What is the IUPAC name of (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate?
The IUPAC name of (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate (CID 175246613) is (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate.
What is the SMILES notation for (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate?
The canonical SMILES for (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate is CC(=O)OCC(C(=O)c1cccc2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate?
The InChIKey is MXFVINPCXBZTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c1-17(26)28-16-24(21-14-13-18-7-2-3-9-20(18)15-21)25(27)23-12-6-10-19-8-4-5-11-22(19)23/h2-15,24H,16H2,1H3.
What are the key properties of (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate?
(3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate has a molecular weight of 368.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-naphthalen-1-yl-2-naphthalen-2-yl-3-oxopropyl) acetate is sourced from PubChem (CID 175246613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).