ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate

C21H24O7 — CID 90388104

IUPACethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate
SMILESCCOC(=O)COc1cc([C@H]2CCc3c(OC)cc(OC)cc3O2)ccc1O
InChIInChI=1S/C21H24O7/c1-4-26-21(23)12-27-20-9-13(5-7-16(20)22)17-8-6-15-18(25-3)10-14(24-2)11-19(15)28-17/h5,7,9-11,17,22H,4,6,8,12H2,1-3H3/t17-/m1/s1
InChIKeyRAFUWVJDEDZGAR-QGZVFWFLSA-N
MW388.42 g/mol
LogP3.42
Rot. Bonds7

About ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate

ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate (PubChem CID 90388104) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate
PubChem CID90388104
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Nameethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate
SMILESCCOC(=O)COc1cc([C@H]2CCc3c(OC)cc(OC)cc3O2)ccc1O
InChIInChI=1S/C21H24O7/c1-4-26-21(23)12-27-20-9-13(5-7-16(20)22)17-8-6-15-18(25-3)10-14(24-2)11-19(15)28-17/h5,7,9-11,17,22H,4,6,8,12H2,1-3H3/t17-/m1/s1
InChIKeyRAFUWVJDEDZGAR-QGZVFWFLSA-N
XLogP3.42
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate?
The IUPAC name of ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate (CID 90388104) is ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate is CCOC(=O)COc1cc([C@H]2CCc3c(OC)cc(OC)cc3O2)ccc1O.
What is the InChIKey of ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate?
The InChIKey is RAFUWVJDEDZGAR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24O7/c1-4-26-21(23)12-27-20-9-13(5-7-16(20)22)17-8-6-15-18(25-3)10-14(24-2)11-19(15)28-17/h5,7,9-11,17,22H,4,6,8,12H2,1-3H3/t17-/m1/s1.
What are the key properties of ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate?
ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate has a molecular weight of 388.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate is sourced from PubChem (CID 90388104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).