methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate

C19H16O7 — CID 141463684

IUPACmethyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
SMILESCOC(=O)COc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C19H16O7/c1-23-15-9-14-17(18(22)19(15)25-10-16(21)24-2)12(20)8-13(26-14)11-6-4-3-5-7-11/h3-9,22H,10H2,1-2H3
InChIKeyORXKWQKYILVRJT-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.73
Rot. Bonds5

About methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate

methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate (PubChem CID 141463684) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
PubChem CID141463684
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Namemethyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
SMILESCOC(=O)COc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C19H16O7/c1-23-15-9-14-17(18(22)19(15)25-10-16(21)24-2)12(20)8-13(26-14)11-6-4-3-5-7-11/h3-9,22H,10H2,1-2H3
InChIKeyORXKWQKYILVRJT-UHFFFAOYSA-N
XLogP2.73
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate
CID 58966182
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
CID 66878364
5-hydroxy-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one
CID 57398925
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 175061039
[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate
CID 175640007

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate?
The IUPAC name of methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate (CID 141463684) is methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate.
What is the SMILES notation for methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate?
The canonical SMILES for methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate is COC(=O)COc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate?
The InChIKey is ORXKWQKYILVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c1-23-15-9-14-17(18(22)19(15)25-10-16(21)24-2)12(20)8-13(26-14)11-6-4-3-5-7-11/h3-9,22H,10H2,1-2H3.
What are the key properties of methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate?
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate has a molecular weight of 356.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate is sourced from PubChem (CID 141463684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).