(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate

C24H18O6 — CID 8839258

IUPAC(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C24H18O6/c1-27-17-7-9-18(10-8-17)28-15-24(26)29-19-11-12-20-21(16-5-3-2-4-6-16)14-23(25)30-22(20)13-19/h2-14H,15H2,1H3
InChIKeyTWUKJRGYSANCCR-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.45
Rot. Bonds6

About (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate

(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate (PubChem CID 8839258) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
PubChem CID8839258
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C24H18O6/c1-27-17-7-9-18(10-8-17)28-15-24(26)29-19-11-12-20-21(16-5-3-2-4-6-16)14-23(25)30-22(20)13-19/h2-14H,15H2,1H3
InChIKeyTWUKJRGYSANCCR-UHFFFAOYSA-N
XLogP4.45
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
CID 5416833
7-ethoxy-4-phenylchromen-2-one
CID 678937
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
CID 6371350
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate?
The IUPAC name of (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate (CID 8839258) is (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1.
What is the InChIKey of (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate?
The InChIKey is TWUKJRGYSANCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-27-17-7-9-18(10-8-17)28-15-24(26)29-19-11-12-20-21(16-5-3-2-4-6-16)14-23(25)30-22(20)13-19/h2-14H,15H2,1H3.
What are the key properties of (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate?
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate has a molecular weight of 402.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 8839258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).