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

C16H14O7 — CID 162857311

IUPAC(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESCOc1c(O)ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c1O
InChIInChI=1S/C16H14O7/c1-22-16-10(18)3-2-8(15(16)21)9-6-23-12-5-7(17)4-11(19)13(12)14(9)20/h2-5,9,17-19,21H,6H2,1H3/t9-/m0/s1
InChIKeyZJCDKORWZBNCCJ-VIFPVBQESA-N
MW318.28 g/mol
LogP1.88
Rot. Bonds2

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

(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one (PubChem CID 162857311) has the molecular formula C16H14O7 and a molecular weight of 318.28 g/mol. Its IUPAC name is (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
PubChem CID162857311
Molecular FormulaC16H14O7
Molecular Weight318.28 g/mol
Exact Mass318.07
IUPAC Name(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESCOc1c(O)ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c1O
InChIInChI=1S/C16H14O7/c1-22-16-10(18)3-2-8(15(16)21)9-6-23-12-5-7(17)4-11(19)13(12)14(9)20/h2-5,9,17-19,21H,6H2,1H3/t9-/m0/s1
InChIKeyZJCDKORWZBNCCJ-VIFPVBQESA-N
XLogP1.88
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one
CID 163054492
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2,3-dihydrochromen-4-one
CID 162994604
benzene-1,2,3-triol;(3R)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 144974292
3-[2,4-dihydroxy-3-(7-hydroxy-3,7-dimethyloct-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 74957395
(3R)-3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 46232310
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
(3S)-5,7-dihydroxy-3-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 636604
(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 163087597
7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one
CID 131753209
(3R)-3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methyl-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 162989731
(3R)-3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 14159176

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one (CID 162857311) is (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one is COc1c(O)ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c1O.
What is the InChIKey of (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The InChIKey is ZJCDKORWZBNCCJ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14O7/c1-22-16-10(18)3-2-8(15(16)21)9-6-23-12-5-7(17)4-11(19)13(12)14(9)20/h2-5,9,17-19,21H,6H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one has a molecular weight of 318.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162857311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).