5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one

C25H24O7 — CID 12041830

IUPAC5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(O)c(Cc2c(OC)c(OC)c(O)c3c2OC(c2ccccc2)CC3=O)c1
InChIInChI=1S/C25H24O7/c1-29-16-9-10-18(26)15(11-16)12-17-23-21(22(28)25(31-3)24(17)30-2)19(27)13-20(32-23)14-7-5-4-6-8-14/h4-11,20,26,28H,12-13H2,1-3H3
InChIKeyGJPUDYANPBNQPG-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.42
Rot. Bonds6

About 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one

5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 12041830) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID12041830
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Name5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(O)c(Cc2c(OC)c(OC)c(O)c3c2OC(c2ccccc2)CC3=O)c1
InChIInChI=1S/C25H24O7/c1-29-16-9-10-18(26)15(11-16)12-17-23-21(22(28)25(31-3)24(17)30-2)19(27)13-20(32-23)14-7-5-4-6-8-14/h4-11,20,26,28H,12-13H2,1-3H3
InChIKeyGJPUDYANPBNQPG-UHFFFAOYSA-N
XLogP4.42
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162922021
(2S)-5,7-dihydroxy-6-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 15895373
(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane
CID 159485344
(2R)-6,8-bis[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360858
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one
CID 163046373
8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 175366050
(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162807777
(2S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 42608075
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
5,8-dihydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415336
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one (CID 12041830) is 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one is COc1ccc(O)c(Cc2c(OC)c(OC)c(O)c3c2OC(c2ccccc2)CC3=O)c1.
What is the InChIKey of 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is GJPUDYANPBNQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O7/c1-29-16-9-10-18(26)15(11-16)12-17-23-21(22(28)25(31-3)24(17)30-2)19(27)13-20(32-23)14-7-5-4-6-8-14/h4-11,20,26,28H,12-13H2,1-3H3.
What are the key properties of 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 436.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12041830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).