[4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate

C24H20O3 — CID 58336698

IUPAC[4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C2=Cc3ccc(C)cc3OC2c2ccccc2)cc1
InChIInChI=1S/C24H20O3/c1-16-8-9-20-15-22(18-10-12-21(13-11-18)26-17(2)25)24(27-23(20)14-16)19-6-4-3-5-7-19/h3-15,24H,1-2H3
InChIKeySBCULKGNZGIYAP-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.59
Rot. Bonds3

About [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate

[4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate (PubChem CID 58336698) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate
PubChem CID58336698
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name[4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C2=Cc3ccc(C)cc3OC2c2ccccc2)cc1
InChIInChI=1S/C24H20O3/c1-16-8-9-20-15-22(18-10-12-21(13-11-18)26-17(2)25)24(27-23(20)14-16)19-6-4-3-5-7-19/h3-15,24H,1-2H3
InChIKeySBCULKGNZGIYAP-UHFFFAOYSA-N
XLogP5.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate?
The IUPAC name of [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate (CID 58336698) is [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate.
What is the SMILES notation for [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate?
The canonical SMILES for [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate is CC(=O)Oc1ccc(C2=Cc3ccc(C)cc3OC2c2ccccc2)cc1.
What is the InChIKey of [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate?
The InChIKey is SBCULKGNZGIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-16-8-9-20-15-22(18-10-12-21(13-11-18)26-17(2)25)24(27-23(20)14-16)19-6-4-3-5-7-19/h3-15,24H,1-2H3.
What are the key properties of [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate?
[4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate has a molecular weight of 356.42 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methyl-2-phenyl-2H-chromen-3-yl)phenyl] acetate is sourced from PubChem (CID 58336698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).