(7-methyldibenzofuran-1-yl) acetate

C15H12O3 — CID 69395963

IUPAC(7-methyldibenzofuran-1-yl) acetate
SMILESCC(=O)Oc1cccc2oc3cc(C)ccc3c12
InChIInChI=1S/C15H12O3/c1-9-6-7-11-14(8-9)18-13-5-3-4-12(15(11)13)17-10(2)16/h3-8H,1-2H3
InChIKeySVPDLMRLVKJEER-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.82
Rot. Bonds1

About (7-methyldibenzofuran-1-yl) acetate

(7-methyldibenzofuran-1-yl) acetate (PubChem CID 69395963) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (7-methyldibenzofuran-1-yl) acetate.

Molecular Properties

Compound Name(7-methyldibenzofuran-1-yl) acetate
PubChem CID69395963
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(7-methyldibenzofuran-1-yl) acetate
SMILESCC(=O)Oc1cccc2oc3cc(C)ccc3c12
InChIInChI=1S/C15H12O3/c1-9-6-7-11-14(8-9)18-13-5-3-4-12(15(11)13)17-10(2)16/h3-8H,1-2H3
InChIKeySVPDLMRLVKJEER-UHFFFAOYSA-N
XLogP3.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (7-methyldibenzofuran-1-yl) acetate?
The IUPAC name of (7-methyldibenzofuran-1-yl) acetate (CID 69395963) is (7-methyldibenzofuran-1-yl) acetate.
What is the SMILES notation for (7-methyldibenzofuran-1-yl) acetate?
The canonical SMILES for (7-methyldibenzofuran-1-yl) acetate is CC(=O)Oc1cccc2oc3cc(C)ccc3c12.
What is the InChIKey of (7-methyldibenzofuran-1-yl) acetate?
The InChIKey is SVPDLMRLVKJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-9-6-7-11-14(8-9)18-13-5-3-4-12(15(11)13)17-10(2)16/h3-8H,1-2H3.
What are the key properties of (7-methyldibenzofuran-1-yl) acetate?
(7-methyldibenzofuran-1-yl) acetate has a molecular weight of 240.26 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyldibenzofuran-1-yl) acetate is sourced from PubChem (CID 69395963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).