6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one

C21H22O6 — CID 141172325

IUPAC6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one
SMILESCCOCc1c(O)c(COCC)c2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C21H22O6/c1-3-25-11-14-19(23)15(12-26-4-2)21-18(20(14)24)16(22)10-17(27-21)13-8-6-5-7-9-13/h5-10,23-24H,3-4,11-12H2,1-2H3
InChIKeySRCMUUJKTDGACP-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.94
Rot. Bonds7

About 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one

6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one (PubChem CID 141172325) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one
PubChem CID141172325
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one
SMILESCCOCc1c(O)c(COCC)c2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C21H22O6/c1-3-25-11-14-19(23)15(12-26-4-2)21-18(20(14)24)16(22)10-17(27-21)13-8-6-5-7-9-13/h5-10,23-24H,3-4,11-12H2,1-2H3
InChIKeySRCMUUJKTDGACP-UHFFFAOYSA-N
XLogP3.94
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,7-dihydroxy-6,8-bis[(3-methylpiperidin-1-yl)methyl]-2-phenylchromen-4-one
CID 3637360
6,8-bis[(3,3-dimethylpiperidin-1-yl)methyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 3570113
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 175061039
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765
CID 172853606
CID 172853606

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one (CID 141172325) is 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one is CCOCc1c(O)c(COCC)c2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one?
The InChIKey is SRCMUUJKTDGACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-3-25-11-14-19(23)15(12-26-4-2)21-18(20(14)24)16(22)10-17(27-21)13-8-6-5-7-9-13/h5-10,23-24H,3-4,11-12H2,1-2H3.
What are the key properties of 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one?
6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one has a molecular weight of 370.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 141172325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).