(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate

C20H17O7- — CID 6972935

IUPAC(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate
SMILESCOc1cccc(Oc2c(C)oc3cc(O[C@@H](C)C(=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C20H18O7/c1-11-19(27-14-6-4-5-13(9-14)24-3)18(21)16-8-7-15(10-17(16)26-11)25-12(2)20(22)23/h4-10,12H,1-3H3,(H,22,23)/p-1/t12-/m0/s1
InChIKeyHLUORTAUZUVICU-LBPRGKRZSA-M
MW369.35 g/mol
LogP2.42
Rot. Bonds6

About (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate

(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate (PubChem CID 6972935) has the molecular formula C20H17O7- and a molecular weight of 369.35 g/mol. Its IUPAC name is (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate.

Molecular Properties

Compound Name(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate
PubChem CID6972935
Molecular FormulaC20H17O7-
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate
SMILESCOc1cccc(Oc2c(C)oc3cc(O[C@@H](C)C(=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C20H18O7/c1-11-19(27-14-6-4-5-13(9-14)24-3)18(21)16-8-7-15(10-17(16)26-11)25-12(2)20(22)23/h4-10,12H,1-3H3,(H,22,23)/p-1/t12-/m0/s1
InChIKeyHLUORTAUZUVICU-LBPRGKRZSA-M
XLogP2.42
TPSA98.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate with MolForge

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Related Compounds

[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 2-methylbenzoate
CID 2006572
[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 2-chloro-2-phenylacetate
CID 110274429
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one
CID 7140108
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanamide
CID 25387415
ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
CID 2938832
[3-(4-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 4-[hydroxy(oxido)amino]benzoate
CID 163152229
potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate
CID 157101066
methyl 4-[2-methyl-4-oxo-7-[2-(2,3,4,5,6-pentafluorophenoxy)propanoyloxy]chromen-3-yl]oxybenzoate
CID 110274143
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264
2-[4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl]oxypropanoate
CID 3706072

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate?
The IUPAC name of (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate (CID 6972935) is (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate.
What is the SMILES notation for (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate?
The canonical SMILES for (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate is COc1cccc(Oc2c(C)oc3cc(O[C@@H](C)C(=O)[O-])ccc3c2=O)c1.
What is the InChIKey of (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate?
The InChIKey is HLUORTAUZUVICU-LBPRGKRZSA-M. The full InChI is InChI=1S/C20H18O7/c1-11-19(27-14-6-4-5-13(9-14)24-3)18(21)16-8-7-15(10-17(16)26-11)25-12(2)20(22)23/h4-10,12H,1-3H3,(H,22,23)/p-1/t12-/m0/s1.
What are the key properties of (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate?
(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate has a molecular weight of 369.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate is sourced from PubChem (CID 6972935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).