2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate

C33H24O6 — CID 142376943

IUPAC2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
SMILESO=C(OCCc1ccc(OC(=O)c2ccccc2)cc1)c1ccc2cc(OC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C33H24O6/c34-31(37-20-19-23-11-16-29(17-12-23)38-32(35)24-7-3-1-4-8-24)28-14-13-27-22-30(18-15-26(27)21-28)39-33(36)25-9-5-2-6-10-25/h1-18,21-22H,19-20H2
InChIKeyKOKMMTLDJNBNQU-UHFFFAOYSA-N
MW516.55 g/mol
LogP6.68
Rot. Bonds8

About 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate

2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate (PubChem CID 142376943) has the molecular formula C33H24O6 and a molecular weight of 516.55 g/mol. Its IUPAC name is 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
PubChem CID142376943
Molecular FormulaC33H24O6
Molecular Weight516.55 g/mol
Exact Mass516.16
IUPAC Name2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
SMILESO=C(OCCc1ccc(OC(=O)c2ccccc2)cc1)c1ccc2cc(OC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C33H24O6/c34-31(37-20-19-23-11-16-29(17-12-23)38-32(35)24-7-3-1-4-8-24)28-14-13-27-22-30(18-15-26(27)21-28)39-33(36)25-9-5-2-6-10-25/h1-18,21-22H,19-20H2
InChIKeyKOKMMTLDJNBNQU-UHFFFAOYSA-N
XLogP6.68
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl 3-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17162299
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
[4-(3-phenylpropoxycarbonyl)phenyl] 3-methylbenzoate
CID 17137945
(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
CID 101418946
[4-(2-phenylethoxycarbonyl)phenyl] 2-bromobenzoate
CID 17143087
[4-(2-phenylethoxycarbonyl)phenyl] 3-bromo-4-(2-methoxyethoxy)benzoate
CID 17143186
naphthalen-2-yl 4-butylbenzoate
CID 532284
4-[6-(4-carboxyphenoxy)carbonylnaphthalen-2-yl]oxycarbonylbenzoic acid;ethane-1,2-diol
CID 68923390
3-phenylpropyl 3-(4-methylbenzoyl)oxybenzoate
CID 17161412

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate?
The IUPAC name of 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate (CID 142376943) is 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate?
The canonical SMILES for 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate is O=C(OCCc1ccc(OC(=O)c2ccccc2)cc1)c1ccc2cc(OC(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate?
The InChIKey is KOKMMTLDJNBNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O6/c34-31(37-20-19-23-11-16-29(17-12-23)38-32(35)24-7-3-1-4-8-24)28-14-13-27-22-30(18-15-26(27)21-28)39-33(36)25-9-5-2-6-10-25/h1-18,21-22H,19-20H2.
What are the key properties of 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate?
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate has a molecular weight of 516.55 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate is sourced from PubChem (CID 142376943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).