[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate

C28H24O4 — CID 59281890

IUPAC[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(CC)cc4)ccc3c2)cc1
InChIInChI=1S/C28H24O4/c1-3-19-5-9-21(10-6-19)27(29)31-25-15-13-24-18-26(16-14-23(24)17-25)32-28(30)22-11-7-20(4-2)8-12-22/h5-18H,3-4H2,1-2H3
InChIKeyHUWCMZZYIWOHJG-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.40
Rot. Bonds6

About [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate

[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate (PubChem CID 59281890) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate.

Molecular Properties

Compound Name[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
PubChem CID59281890
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(CC)cc4)ccc3c2)cc1
InChIInChI=1S/C28H24O4/c1-3-19-5-9-21(10-6-19)27(29)31-25-15-13-24-18-26(16-14-23(24)17-25)32-28(30)22-11-7-20(4-2)8-12-22/h5-18H,3-4H2,1-2H3
InChIKeyHUWCMZZYIWOHJG-UHFFFAOYSA-N
XLogP6.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-bromonaphthalen-2-yl) 4-ethylbenzoate
CID 4038314
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate
CID 157381645
(4-ethyl-3-fluorophenyl) 4-ethylbenzoate
CID 22089451
naphthalen-2-yl 4-butylbenzoate
CID 532284
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
(3-chloro-4-sulfanylphenyl) 4-ethylbenzoate
CID 173376426
[3-tert-butyl-4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;ethane
CID 91445499
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(4-prop-2-enoylphenyl) 4-ethylbenzoate
CID 123505415

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate?
The IUPAC name of [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate (CID 59281890) is [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate.
What is the SMILES notation for [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate?
The canonical SMILES for [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate is CCc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(CC)cc4)ccc3c2)cc1.
What is the InChIKey of [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate?
The InChIKey is HUWCMZZYIWOHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-3-19-5-9-21(10-6-19)27(29)31-25-15-13-24-18-26(16-14-23(24)17-25)32-28(30)22-11-7-20(4-2)8-12-22/h5-18H,3-4H2,1-2H3.
What are the key properties of [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate?
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate has a molecular weight of 424.50 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate is sourced from PubChem (CID 59281890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).