ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate

C21H20O6 — CID 981923

IUPACethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1
InChIInChI=1S/C21H20O6/c1-4-24-21(23)14(3)25-16-10-11-17-18(12-16)26-13(2)20(19(17)22)27-15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3/t14-/m1/s1
InChIKeyGIBGXRRVIKTXMN-CQSZACIVSA-N
MW368.39 g/mol
LogP4.22
Rot. Bonds6

About ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate

ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate (PubChem CID 981923) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
PubChem CID981923
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Nameethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1
InChIInChI=1S/C21H20O6/c1-4-24-21(23)14(3)25-16-10-11-17-18(12-16)26-13(2)20(19(17)22)27-15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3/t14-/m1/s1
InChIKeyGIBGXRRVIKTXMN-CQSZACIVSA-N
XLogP4.22
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
CID 2938832
(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate
CID 6972935
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanamide
CID 25387415
ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 2790491
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
ethyl 7-acetyloxy-4-oxo-3-phenoxychromene-2-carboxylate
CID 30105048
propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2000802
ethyl 2-[4-(2-fluorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 138490773
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate?
The IUPAC name of ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate (CID 981923) is ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate.
What is the SMILES notation for ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate?
The canonical SMILES for ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate is CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1.
What is the InChIKey of ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate?
The InChIKey is GIBGXRRVIKTXMN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20O6/c1-4-24-21(23)14(3)25-16-10-11-17-18(12-16)26-13(2)20(19(17)22)27-15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate?
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate has a molecular weight of 368.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate is sourced from PubChem (CID 981923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).