(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one

C17H16O7 — CID 162788463

IUPAC(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)c2c(c1)O[C@H](c1cc(O)c(OC)c(O)c1)CC2=O
InChIInChI=1S/C17H16O7/c1-22-9-5-10(18)16-11(19)7-14(24-15(16)6-9)8-3-12(20)17(23-2)13(21)4-8/h3-6,14,18,20-21H,7H2,1-2H3/t14-/m0/s1
InChIKeyRPGVNVDUAKQUON-AWEZNQCLSA-N
MW332.31 g/mol
LogP2.53
Rot. Bonds3

About (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one

(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 162788463) has the molecular formula C17H16O7 and a molecular weight of 332.31 g/mol. Its IUPAC name is (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID162788463
Molecular FormulaC17H16O7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)c2c(c1)O[C@H](c1cc(O)c(OC)c(O)c1)CC2=O
InChIInChI=1S/C17H16O7/c1-22-9-5-10(18)16-11(19)7-14(24-15(16)6-9)8-3-12(20)17(23-2)13(21)4-8/h3-6,14,18,20-21H,7H2,1-2H3/t14-/m0/s1
InChIKeyRPGVNVDUAKQUON-AWEZNQCLSA-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

2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
(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
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
CID 42608070
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 56850105
potassium;(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;hydride
CID 173056573
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
(2S)-2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 171345011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one (CID 162788463) is (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one is COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(OC)c(O)c1)CC2=O.
What is the InChIKey of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is RPGVNVDUAKQUON-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16O7/c1-22-9-5-10(18)16-11(19)7-14(24-15(16)6-9)8-3-12(20)17(23-2)13(21)4-8/h3-6,14,18,20-21H,7H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-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 (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162788463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).