3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate

C27H24O4 — CID 7503589

IUPAC3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCCCOC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C27H24O4/c28-26(18-22-12-5-10-20-8-1-3-14-24(20)22)30-16-7-17-31-27(29)19-23-13-6-11-21-9-2-4-15-25(21)23/h1-6,8-15H,7,16-19H2
InChIKeyUAAJFWKPPBZMBG-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.25
Rot. Bonds8

About 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate

3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate (PubChem CID 7503589) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
PubChem CID7503589
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCCCOC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C27H24O4/c28-26(18-22-12-5-10-20-8-1-3-14-24(20)22)30-16-7-17-31-27(29)19-23-13-6-11-21-9-2-4-15-25(21)23/h1-6,8-15H,7,16-19H2
InChIKeyUAAJFWKPPBZMBG-UHFFFAOYSA-N
XLogP5.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-1-ylpropyl carbamate
CID 175301350
formyl 2-naphthalen-1-ylacetate
CID 57137392
6-[3-(naphthalen-1-ylmethylsulfanyl)propanoyloxy]hexyl 3-(naphthalen-1-ylmethylsulfanyl)propanoate
CID 91717185
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396
2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
CID 159221966
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782738
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782971
3-phenoxypropyl naphthalene-1-carboxylate
CID 71029614
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 7867111
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate?
The IUPAC name of 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate (CID 7503589) is 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate.
What is the SMILES notation for 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate?
The canonical SMILES for 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate is O=C(Cc1cccc2ccccc12)OCCCOC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate?
The InChIKey is UAAJFWKPPBZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4/c28-26(18-22-12-5-10-20-8-1-3-14-24(20)22)30-16-7-17-31-27(29)19-23-13-6-11-21-9-2-4-15-25(21)23/h1-6,8-15H,7,16-19H2.
What are the key properties of 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate?
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate has a molecular weight of 412.49 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate is sourced from PubChem (CID 7503589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).