(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate

C33H28O4 — CID 143295308

IUPAC(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate
SMILESO=C(Oc1ccc2c(c1)C1(CCC2)CCCc2ccc(OC(=O)c3ccccc3)cc21)c1ccccc1
InChIInChI=1S/C33H28O4/c34-31(25-9-3-1-4-10-25)36-27-17-15-23-13-7-19-33(29(23)21-27)20-8-14-24-16-18-28(22-30(24)33)37-32(35)26-11-5-2-6-12-26/h1-6,9-12,15-18,21-22H,7-8,13-14,19-20H2
InChIKeyQYUFYQWYZOVBGD-UHFFFAOYSA-N
MW488.58 g/mol
LogP7.08
Rot. Bonds4

About (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate

(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate (PubChem CID 143295308) has the molecular formula C33H28O4 and a molecular weight of 488.58 g/mol. Its IUPAC name is (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate.

Molecular Properties

Compound Name(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate
PubChem CID143295308
Molecular FormulaC33H28O4
Molecular Weight488.58 g/mol
Exact Mass488.20
IUPAC Name(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate
SMILESO=C(Oc1ccc2c(c1)C1(CCC2)CCCc2ccc(OC(=O)c3ccccc3)cc21)c1ccccc1
InChIInChI=1S/C33H28O4/c34-31(25-9-3-1-4-10-25)36-27-17-15-23-13-7-19-33(29(23)21-27)20-8-14-24-16-18-28(22-30(24)33)37-32(35)26-11-5-2-6-12-26/h1-6,9-12,15-18,21-22H,7-8,13-14,19-20H2
InChIKeyQYUFYQWYZOVBGD-UHFFFAOYSA-N
XLogP7.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate?
The IUPAC name of (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate (CID 143295308) is (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate.
What is the SMILES notation for (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate?
The canonical SMILES for (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate is O=C(Oc1ccc2c(c1)C1(CCC2)CCCc2ccc(OC(=O)c3ccccc3)cc21)c1ccccc1.
What is the InChIKey of (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate?
The InChIKey is QYUFYQWYZOVBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O4/c34-31(25-9-3-1-4-10-25)36-27-17-15-23-13-7-19-33(29(23)21-27)20-8-14-24-16-18-28(22-30(24)33)37-32(35)26-11-5-2-6-12-26/h1-6,9-12,15-18,21-22H,7-8,13-14,19-20H2.
What are the key properties of (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate?
(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate has a molecular weight of 488.58 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate is sourced from PubChem (CID 143295308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).