(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one

C18H18O7 — CID 163046373

IUPAC(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1c(O)c2c(c(OC)c1OC)O[C@H](c1ccc(O)cc1)CC2=O
InChIInChI=1S/C18H18O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-7,12,19,21H,8H2,1-3H3/t12-/m0/s1
InChIKeyTZVHQZKWRMUZBY-LBPRGKRZSA-N
MW346.34 g/mol
LogP2.83
Rot. Bonds4

About (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one (PubChem CID 163046373) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one
PubChem CID163046373
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Name(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1c(O)c2c(c(OC)c1OC)O[C@H](c1ccc(O)cc1)CC2=O
InChIInChI=1S/C18H18O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-7,12,19,21H,8H2,1-3H3/t12-/m0/s1
InChIKeyTZVHQZKWRMUZBY-LBPRGKRZSA-N
XLogP2.83
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-[(1R)-4-methyl-1-(1H-pyrrol-3-yl)pentyl]-2,3-dihydrochromen-4-one
CID 163164386
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-[2-phenyl-1-(1H-pyrrol-3-yl)ethyl]-2,3-dihydrochromen-4-one
CID 163166209
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
(2S)-5,7-dihydroxy-6-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 15895373
5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12041830
(2R)-5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162922021
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
(2S)-8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212229
5-hydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-7-propan-2-yloxy-2,3-dihydrochromen-4-one
CID 155725234
5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 42608015
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
[4-(7-acetyloxy-5-hydroxy-6,8-dimethyl-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl] acetate
CID 162863077

Frequently Asked Questions

What is the IUPAC name of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one (CID 163046373) is (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one is COc1c(O)c2c(c(OC)c1OC)O[C@H](c1ccc(O)cc1)CC2=O.
What is the InChIKey of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is TZVHQZKWRMUZBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-7,12,19,21H,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one?
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 346.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163046373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).