(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate

C23H15ClO4 — CID 110274410

IUPAC(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
SMILESO=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(Cl)c1ccccc1
InChIInChI=1S/C23H15ClO4/c24-21(16-9-5-2-6-10-16)23(26)28-17-11-12-18-20(13-17)27-14-19(22(18)25)15-7-3-1-4-8-15/h1-14,21H
InChIKeyGZZCLIGNSAWWJX-UHFFFAOYSA-N
MW390.82 g/mol
LogP5.35
Rot. Bonds4

About (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate

(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate (PubChem CID 110274410) has the molecular formula C23H15ClO4 and a molecular weight of 390.82 g/mol. Its IUPAC name is (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate.

Molecular Properties

Compound Name(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
PubChem CID110274410
Molecular FormulaC23H15ClO4
Molecular Weight390.82 g/mol
Exact Mass390.07
IUPAC Name(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
SMILESO=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(Cl)c1ccccc1
InChIInChI=1S/C23H15ClO4/c24-21(16-9-5-2-6-10-16)23(26)28-17-11-12-18-20(13-17)27-14-19(22(18)25)15-7-3-1-4-8-15/h1-14,21H
InChIKeyGZZCLIGNSAWWJX-UHFFFAOYSA-N
XLogP5.35
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.82
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate 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 (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate?
The IUPAC name of (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate (CID 110274410) is (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate.
What is the SMILES notation for (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate?
The canonical SMILES for (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate is O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(Cl)c1ccccc1.
What is the InChIKey of (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate?
The InChIKey is GZZCLIGNSAWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClO4/c24-21(16-9-5-2-6-10-16)23(26)28-17-11-12-18-20(13-17)27-14-19(22(18)25)15-7-3-1-4-8-15/h1-14,21H.
What are the key properties of (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate?
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate has a molecular weight of 390.82 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate is sourced from PubChem (CID 110274410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).