ethyl 4-(4-oxochromen-2-yl)benzoate

C18H14O4 — CID 2825269

IUPACethyl 4-(4-oxochromen-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H14O4/c1-2-21-18(20)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)22-17/h3-11H,2H2,1H3
InChIKeyDNBRLXGCVKXLTH-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.64
Rot. Bonds3

About ethyl 4-(4-oxochromen-2-yl)benzoate

ethyl 4-(4-oxochromen-2-yl)benzoate (PubChem CID 2825269) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 4-(4-oxochromen-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-oxochromen-2-yl)benzoate
PubChem CID2825269
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Nameethyl 4-(4-oxochromen-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H14O4/c1-2-21-18(20)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)22-17/h3-11H,2H2,1H3
InChIKeyDNBRLXGCVKXLTH-UHFFFAOYSA-N
XLogP3.64
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-oxochromen-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 ethyl 4-(4-oxochromen-2-yl)benzoate?
The IUPAC name of ethyl 4-(4-oxochromen-2-yl)benzoate (CID 2825269) is ethyl 4-(4-oxochromen-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(4-oxochromen-2-yl)benzoate?
The canonical SMILES for ethyl 4-(4-oxochromen-2-yl)benzoate is CCOC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of ethyl 4-(4-oxochromen-2-yl)benzoate?
The InChIKey is DNBRLXGCVKXLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-2-21-18(20)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)22-17/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-(4-oxochromen-2-yl)benzoate?
ethyl 4-(4-oxochromen-2-yl)benzoate has a molecular weight of 294.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxochromen-2-yl)benzoate is sourced from PubChem (CID 2825269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).