[1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate

C34H22O4 — CID 2063299

IUPAC[1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2ccccc2c1-c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C34H22O4/c35-33(25-13-3-1-4-14-25)37-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)38-34(36)26-15-5-2-6-16-26/h1-22H
InChIKeyDYTFOMFSASUHEX-UHFFFAOYSA-N
MW494.55 g/mol
LogP8.10
Rot. Bonds5

About [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate

[1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate (PubChem CID 2063299) has the molecular formula C34H22O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate
PubChem CID2063299
Molecular FormulaC34H22O4
Molecular Weight494.55 g/mol
Exact Mass494.15
IUPAC Name[1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2ccccc2c1-c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C34H22O4/c35-33(25-13-3-1-4-14-25)37-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)38-34(36)26-15-5-2-6-16-26/h1-22H
InChIKeyDYTFOMFSASUHEX-UHFFFAOYSA-N
XLogP8.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 58.10
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

CID 2361
CID 2361
CID 60164
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CID 11790
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CID 9799417
CID 9799417
CID 31410
CID 31410
CID 77267
CID 77267
CID 371436
CID 371436
CID 67236
CID 67236
CID 66734
CID 66734
CID 66501
CID 66501
CID 9830426
CID 9830426
CID 623335
CID 623335

Frequently Asked Questions

What is the IUPAC name of [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate?
The IUPAC name of [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate (CID 2063299) is [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate?
The canonical SMILES for [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate is O=C(Oc1ccc2ccccc2c1-c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate?
The InChIKey is DYTFOMFSASUHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O4/c35-33(25-13-3-1-4-14-25)37-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)38-34(36)26-15-5-2-6-16-26/h1-22H.
What are the key properties of [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate?
[1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate has a molecular weight of 494.55 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-benzoyloxynaphthalen-1-yl)naphthalen-2-yl] benzoate is sourced from PubChem (CID 2063299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).