methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate

C22H16O5 — CID 7345331

IUPACmethyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate
SMILESCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1
InChIInChI=1S/C22H16O5/c1-25-22(24)20(14-7-3-2-4-8-14)26-15-11-12-17-16-9-5-6-10-18(16)21(23)27-19(17)13-15/h2-13,20H,1H3/t20-/m1/s1
InChIKeyJTWNIUBKVLUFCX-HXUWFJFHSA-N
MW360.37 g/mol
LogP4.24
Rot. Bonds4

About methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate

methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate (PubChem CID 7345331) has the molecular formula C22H16O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate
PubChem CID7345331
Molecular FormulaC22H16O5
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Namemethyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate
SMILESCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1
InChIInChI=1S/C22H16O5/c1-25-22(24)20(14-7-3-2-4-8-14)26-15-11-12-17-16-9-5-6-10-18(16)21(23)27-19(17)13-15/h2-13,20H,1H3/t20-/m1/s1
InChIKeyJTWNIUBKVLUFCX-HXUWFJFHSA-N
XLogP4.24
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxybutanoate
CID 7085258
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 906268
3-[(2S)-3-oxobutan-2-yl]oxybenzo[c]chromen-6-one
CID 914972
methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate
CID 11327979
(2S)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-2-phenylacetic acid
CID 705666
(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetic acid
CID 2277257
benzyl 2-(6-oxobenzo[c]chromen-3-yl)oxybutanoate
CID 23736487
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
CID 2938832
methyl 2-phenyl-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetate
CID 2939978
2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid
CID 3322999

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate?
The IUPAC name of methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate (CID 7345331) is methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate is COC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1.
What is the InChIKey of methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate?
The InChIKey is JTWNIUBKVLUFCX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H16O5/c1-25-22(24)20(14-7-3-2-4-8-14)26-15-11-12-17-16-9-5-6-10-18(16)21(23)27-19(17)13-15/h2-13,20H,1H3/t20-/m1/s1.
What are the key properties of methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate?
methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate has a molecular weight of 360.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate is sourced from PubChem (CID 7345331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).