cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate

C28H24O4 — CID 70139547

IUPACcyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate
SMILESCC(=O)Oc1ccc2c(c1C(=O)OC1CC1)C=CC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C28H24O4/c1-19(29)31-25-15-12-20-18-28(21-8-4-2-5-9-21,22-10-6-3-7-11-22)17-16-24(20)26(25)27(30)32-23-13-14-23/h2-12,15-17,23H,13-14,18H2,1H3
InChIKeyHOOVLROZVIRJMN-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.49
Rot. Bonds5

About cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate

cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate (PubChem CID 70139547) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate
PubChem CID70139547
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Namecyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate
SMILESCC(=O)Oc1ccc2c(c1C(=O)OC1CC1)C=CC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C28H24O4/c1-19(29)31-25-15-12-20-18-28(21-8-4-2-5-9-21,22-10-6-3-7-11-22)17-16-24(20)26(25)27(30)32-23-13-14-23/h2-12,15-17,23H,13-14,18H2,1H3
InChIKeyHOOVLROZVIRJMN-UHFFFAOYSA-N
XLogP5.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate?
The IUPAC name of cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate (CID 70139547) is cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate.
What is the SMILES notation for cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate?
The canonical SMILES for cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate is CC(=O)Oc1ccc2c(c1C(=O)OC1CC1)C=CC(c1ccccc1)(c1ccccc1)C2.
What is the InChIKey of cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate?
The InChIKey is HOOVLROZVIRJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-19(29)31-25-15-12-20-18-28(21-8-4-2-5-9-21,22-10-6-3-7-11-22)17-16-24(20)26(25)27(30)32-23-13-14-23/h2-12,15-17,23H,13-14,18H2,1H3.
What are the key properties of cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate?
cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate is sourced from PubChem (CID 70139547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).