(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate

C18H14O5 — CID 746326

IUPAC(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate
SMILESCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1
InChIInChI=1S/C18H14O5/c1-11-18(23-13-6-4-3-5-7-13)17(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3
InChIKeyGSHNBUJWHGCPFS-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.82
Rot. Bonds3

About (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate

(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate (PubChem CID 746326) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate.

Molecular Properties

Compound Name(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate
PubChem CID746326
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate
SMILESCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1
InChIInChI=1S/C18H14O5/c1-11-18(23-13-6-4-3-5-7-13)17(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3
InChIKeyGSHNBUJWHGCPFS-UHFFFAOYSA-N
XLogP3.82
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate 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 (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate?
The IUPAC name of (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate (CID 746326) is (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate.
What is the SMILES notation for (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate?
The canonical SMILES for (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate is CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1.
What is the InChIKey of (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate?
The InChIKey is GSHNBUJWHGCPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-11-18(23-13-6-4-3-5-7-13)17(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3.
What are the key properties of (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate?
(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate has a molecular weight of 310.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate is sourced from PubChem (CID 746326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).