2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate

C24H24O6 — CID 58800513

IUPAC2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate
SMILESCOCCOc1ccc2cc(OCCOC(=O)c3ccc(C(C)=O)cc3)ccc2c1
InChIInChI=1S/C24H24O6/c1-17(25)18-3-5-19(6-4-18)24(26)30-14-13-29-23-10-8-20-15-22(28-12-11-27-2)9-7-21(20)16-23/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAPXDGHBOVSUKQW-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.30
Rot. Bonds10

About 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate

2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate (PubChem CID 58800513) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate.

Molecular Properties

Compound Name2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate
PubChem CID58800513
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate
SMILESCOCCOc1ccc2cc(OCCOC(=O)c3ccc(C(C)=O)cc3)ccc2c1
InChIInChI=1S/C24H24O6/c1-17(25)18-3-5-19(6-4-18)24(26)30-14-13-29-23-10-8-20-15-22(28-12-11-27-2)9-7-21(20)16-23/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAPXDGHBOVSUKQW-UHFFFAOYSA-N
XLogP4.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 158601730
methane;4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 160656941
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
CID 17151540
2-methoxyethyl 4-decoxybenzoate
CID 54021370
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
2-(4-acetylbenzoyl)oxyethyl 4-(methoxymethyl)benzoate;methane
CID 158740557
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
4-O-[2-[2-(4-acetylbenzoyl)oxyethoxy-ethoxyphosphoryl]oxyethyl] 1-O-(2-methoxyethyl) benzene-1,4-dicarboxylate
CID 22948301
4-O-[2-[2-(4-acetylbenzoyl)oxyethoxy-ethylphosphoryl]oxyethyl] 1-O-(2-methoxyethyl) benzene-1,4-dicarboxylate;methane
CID 162163642

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate?
The IUPAC name of 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate (CID 58800513) is 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate.
What is the SMILES notation for 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate?
The canonical SMILES for 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate is COCCOc1ccc2cc(OCCOC(=O)c3ccc(C(C)=O)cc3)ccc2c1.
What is the InChIKey of 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate?
The InChIKey is APXDGHBOVSUKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-17(25)18-3-5-19(6-4-18)24(26)30-14-13-29-23-10-8-20-15-22(28-12-11-27-2)9-7-21(20)16-23/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate?
2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate has a molecular weight of 408.45 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate is sourced from PubChem (CID 58800513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).