1,3-dinaphthalen-2-ylprop-1-enyl acetate

C25H20O2 — CID 68974675

IUPAC1,3-dinaphthalen-2-ylprop-1-enyl acetate
SMILESCC(=O)OC(=CCc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H20O2/c1-18(26)27-25(24-14-13-21-7-3-5-9-23(21)17-24)15-11-19-10-12-20-6-2-4-8-22(20)16-19/h2-10,12-17H,11H2,1H3
InChIKeyQSTRUXLBYQFIDA-UHFFFAOYSA-N
MW352.43 g/mol
LogP6.14
Rot. Bonds4

About 1,3-dinaphthalen-2-ylprop-1-enyl acetate

1,3-dinaphthalen-2-ylprop-1-enyl acetate (PubChem CID 68974675) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1,3-dinaphthalen-2-ylprop-1-enyl acetate.

Molecular Properties

Compound Name1,3-dinaphthalen-2-ylprop-1-enyl acetate
PubChem CID68974675
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name1,3-dinaphthalen-2-ylprop-1-enyl acetate
SMILESCC(=O)OC(=CCc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H20O2/c1-18(26)27-25(24-14-13-21-7-3-5-9-23(21)17-24)15-11-19-10-12-20-6-2-4-8-22(20)16-19/h2-10,12-17H,11H2,1H3
InChIKeyQSTRUXLBYQFIDA-UHFFFAOYSA-N
XLogP6.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-4-naphthalen-2-ylbut-2-enoate
CID 59030798
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
propanoyl naphthalene-2-carboxylate
CID 118192395
(E)-4-naphthalen-2-ylbut-2-enoic acid
CID 11789094
trimethyl-[(Z)-1-naphthalen-2-ylprop-1-enoxy]silane
CID 102386062
(4-acetylphenyl) 2-naphthalen-2-ylacetate
CID 8764059
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 172781894
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
methyl 6-prop-2-enylnaphthalene-2-carboxylate
CID 163936800
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of 1,3-dinaphthalen-2-ylprop-1-enyl acetate?
The IUPAC name of 1,3-dinaphthalen-2-ylprop-1-enyl acetate (CID 68974675) is 1,3-dinaphthalen-2-ylprop-1-enyl acetate.
What is the SMILES notation for 1,3-dinaphthalen-2-ylprop-1-enyl acetate?
The canonical SMILES for 1,3-dinaphthalen-2-ylprop-1-enyl acetate is CC(=O)OC(=CCc1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 1,3-dinaphthalen-2-ylprop-1-enyl acetate?
The InChIKey is QSTRUXLBYQFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2/c1-18(26)27-25(24-14-13-21-7-3-5-9-23(21)17-24)15-11-19-10-12-20-6-2-4-8-22(20)16-19/h2-10,12-17H,11H2,1H3.
What are the key properties of 1,3-dinaphthalen-2-ylprop-1-enyl acetate?
1,3-dinaphthalen-2-ylprop-1-enyl acetate has a molecular weight of 352.43 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dinaphthalen-2-ylprop-1-enyl acetate is sourced from PubChem (CID 68974675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).