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

C16H14O6 — CID 163062623

IUPAC(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c1
InChIInChI=1S/C16H14O6/c1-21-11-3-8(2-9(17)4-11)14-7-13(20)16-12(19)5-10(18)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1
InChIKeyYNYGAMJOLICYES-CQSZACIVSA-N
MW302.28 g/mol
LogP2.52
Rot. Bonds2

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

(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 163062623) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID163062623
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c1
InChIInChI=1S/C16H14O6/c1-21-11-3-8(2-9(17)4-11)14-7-13(20)16-12(19)5-10(18)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1
InChIKeyYNYGAMJOLICYES-CQSZACIVSA-N
XLogP2.52
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
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
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
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
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
2-(3,5-dichloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195842
5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
CID 42608070
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;bis(5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one);bis(5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydrochromen-4-one)
CID 161273005
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 163062623) is (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1cc(O)cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c1.
What is the InChIKey of (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is YNYGAMJOLICYES-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-11-3-8(2-9(17)4-11)14-7-13(20)16-12(19)5-10(18)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one?
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 302.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163062623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).