(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C24H18O5 — CID 7909541

IUPAC(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)Oc3ccc(-c4ccccc4)cc3)ccc12
InChIInChI=1S/C24H18O5/c1-16-13-23(25)29-22-14-20(11-12-21(16)22)27-15-24(26)28-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyRZYZOIGPDTVLJK-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.75
Rot. Bonds5

About (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 7909541) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID7909541
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)Oc3ccc(-c4ccccc4)cc3)ccc12
InChIInChI=1S/C24H18O5/c1-16-13-23(25)29-22-14-20(11-12-21(16)22)27-15-24(26)28-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyRZYZOIGPDTVLJK-UHFFFAOYSA-N
XLogP4.75
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
CID 18870058
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
(4-methyl-2-oxochromen-7-yl) 2-[4-(3,5-dimethylphenoxy)phenoxy]acetate
CID 18870497
(2-hydroxyimino-2-phenylethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3132124

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 7909541) is (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)Oc3ccc(-c4ccccc4)cc3)ccc12.
What is the InChIKey of (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is RZYZOIGPDTVLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5/c1-16-13-23(25)29-22-14-20(11-12-21(16)22)27-15-24(26)28-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 386.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 7909541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).