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

C18H13O6- — CID 6920592

IUPAC(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
SMILESC[C@@H](Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]
InChIInChI=1S/C18H14O6/c1-10(18(21)22)23-12-7-13(19)17-14(20)9-15(24-16(17)8-12)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,21,22)/p-1/t10-/m1/s1
InChIKeyYOQVHERGOVICCE-SNVBAGLBSA-M
MW325.30 g/mol
LogP1.68
Rot. Bonds4

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

(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate (PubChem CID 6920592) has the molecular formula C18H13O6- and a molecular weight of 325.30 g/mol. Its IUPAC name is (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate.

Molecular Properties

Compound Name(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
PubChem CID6920592
Molecular FormulaC18H13O6-
Molecular Weight325.30 g/mol
Exact Mass325.07
IUPAC Name(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
SMILESC[C@@H](Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]
InChIInChI=1S/C18H14O6/c1-10(18(21)22)23-12-7-13(19)17-14(20)9-15(24-16(17)8-12)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,21,22)/p-1/t10-/m1/s1
InChIKeyYOQVHERGOVICCE-SNVBAGLBSA-M
XLogP1.68
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
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
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
7-(4-bromo-2,4-dimethylpentan-2-yl)oxy-5-hydroxy-2-phenylchromen-4-one
CID 91144753
(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate
CID 7575311
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
[(2R,5R)-4-benzoyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-methylheptan-3-yl] benzoate
CID 163677320
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
CID 172853606
CID 172853606
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
The IUPAC name of (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate (CID 6920592) is (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate.
What is the SMILES notation for (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
The canonical SMILES for (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate is C[C@@H](Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-].
What is the InChIKey of (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
The InChIKey is YOQVHERGOVICCE-SNVBAGLBSA-M. The full InChI is InChI=1S/C18H14O6/c1-10(18(21)22)23-12-7-13(19)17-14(20)9-15(24-16(17)8-12)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,21,22)/p-1/t10-/m1/s1.
What are the key properties of (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate?
(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate has a molecular weight of 325.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate is sourced from PubChem (CID 6920592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).