[2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate

C19H22O5 — CID 54262484

IUPAC[2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate
SMILESCCC(=O)OC(Cc1ccc2c(OC)cccc2c1)OC(=O)CC
InChIInChI=1S/C19H22O5/c1-4-17(20)23-19(24-18(21)5-2)12-13-9-10-15-14(11-13)7-6-8-16(15)22-3/h6-11,19H,4-5,12H2,1-3H3
InChIKeyREMDLIDLLIIJFG-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.62
Rot. Bonds7

About [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate

[2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate (PubChem CID 54262484) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate.

Molecular Properties

Compound Name[2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate
PubChem CID54262484
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name[2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate
SMILESCCC(=O)OC(Cc1ccc2c(OC)cccc2c1)OC(=O)CC
InChIInChI=1S/C19H22O5/c1-4-17(20)23-19(24-18(21)5-2)12-13-9-10-15-14(11-13)7-6-8-16(15)22-3/h6-11,19H,4-5,12H2,1-3H3
InChIKeyREMDLIDLLIIJFG-UHFFFAOYSA-N
XLogP3.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
CID 145114248
ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
CID 138986784
ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
CID 144547592
naphthalen-1-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8779641
(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
methanol;1-methoxynaphthalene;neptunium
CID 157299455
(2-chloro-6-methoxyphenyl) propanoate
CID 67392608
6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene
CID 167089470
3-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 133241251
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
[3-(2,3-dimethoxyphenyl)phenyl] propanoate
CID 142465184

Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate?
The IUPAC name of [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate (CID 54262484) is [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate.
What is the SMILES notation for [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate?
The canonical SMILES for [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate is CCC(=O)OC(Cc1ccc2c(OC)cccc2c1)OC(=O)CC.
What is the InChIKey of [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate?
The InChIKey is REMDLIDLLIIJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-17(20)23-19(24-18(21)5-2)12-13-9-10-15-14(11-13)7-6-8-16(15)22-3/h6-11,19H,4-5,12H2,1-3H3.
What are the key properties of [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate?
[2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate has a molecular weight of 330.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxynaphthalen-2-yl)-1-propanoyloxyethyl] propanoate is sourced from PubChem (CID 54262484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).