methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate

C19H16O6 — CID 5397954

IUPACmethyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H16O6/c1-11(19(22)23-2)24-13-8-14(20)18-15(21)10-16(25-17(18)9-13)12-6-4-3-5-7-12/h3-11,20H,1-2H3/t11-/m1/s1
InChIKeyRZWLAEPYQHSUFO-LLVKDONJSA-N
MW340.33 g/mol
LogP3.11
Rot. Bonds4

About methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate

methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate (PubChem CID 5397954) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
PubChem CID5397954
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Namemethyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H16O6/c1-11(19(22)23-2)24-13-8-14(20)18-15(21)10-16(25-17(18)9-13)12-6-4-3-5-7-12/h3-11,20H,1-2H3/t11-/m1/s1
InChIKeyRZWLAEPYQHSUFO-LLVKDONJSA-N
XLogP3.11
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 6920592
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
[5-(3,4-dichlorophenyl)-1-phenylpyrazol-3-yl] 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 174989153
methyl (2R)-2-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 986794
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
[(2R,5R)-4-benzoyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-methylheptan-3-yl] benzoate
CID 163677320
7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one
CID 22280813
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
7-anilino-5-hydroxy-2-phenylchromen-4-one
CID 164946024
7-(4-bromo-2,4-dimethylpentan-2-yl)oxy-5-hydroxy-2-phenylchromen-4-one
CID 91144753
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
The IUPAC name of methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate (CID 5397954) is methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate.
What is the SMILES notation for methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
The canonical SMILES for methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate is COC(=O)[C@@H](C)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
The InChIKey is RZWLAEPYQHSUFO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16O6/c1-11(19(22)23-2)24-13-8-14(20)18-15(21)10-16(25-17(18)9-13)12-6-4-3-5-7-12/h3-11,20H,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate has a molecular weight of 340.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate is sourced from PubChem (CID 5397954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).