2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one

C17H16O7 — CID 162898919

IUPAC2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(O)c1OC)C(=O)CC(c1ccc(O)cc1O)O2
InChIInChI=1S/C17H16O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)9-4-3-8(18)5-10(9)19/h3-5,7,12,18-19,21H,6H2,1-2H3
InChIKeyXBTHWGFPZWQGLZ-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one

2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one (PubChem CID 162898919) has the molecular formula C17H16O7 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID162898919
Molecular FormulaC17H16O7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(O)c1OC)C(=O)CC(c1ccc(O)cc1O)O2
InChIInChI=1S/C17H16O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)9-4-3-8(18)5-10(9)19/h3-5,7,12,18-19,21H,6H2,1-2H3
InChIKeyXBTHWGFPZWQGLZ-UHFFFAOYSA-N
XLogP2.53
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 10356745
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 56850105
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
CID 14332451
(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methyl-2,3-dihydrochromen-4-one
CID 163064511
2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195853
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
(2S)-2-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dimethoxyphenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 91602885
2-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dimethoxyphenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 72972601
5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 14777422
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one (CID 162898919) is 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one is COc1cc2c(c(O)c1OC)C(=O)CC(c1ccc(O)cc1O)O2.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is XBTHWGFPZWQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)9-4-3-8(18)5-10(9)19/h3-5,7,12,18-19,21H,6H2,1-2H3.
What are the key properties of 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one?
2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 332.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162898919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).