(3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol

C16H16O6 — CID 71260763

IUPAC(3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol
SMILESC[C@@]1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
InChIInChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3/t15?,16-/m1/s1
InChIKeyBBDWMQGDVLQOSW-OEMAIJDKSA-N
MW304.30 g/mol
LogP1.94
Rot. Bonds1

About (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol

(3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol (PubChem CID 71260763) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol.

Molecular Properties

Compound Name(3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol
PubChem CID71260763
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol
SMILESC[C@@]1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
InChIInChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3/t15?,16-/m1/s1
InChIKeyBBDWMQGDVLQOSW-OEMAIJDKSA-N
XLogP1.94
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydroxyphenyl)-3-ethoxy-2,4-dihydrochromene-3,5,7-triol
CID 133064587
1-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,4-dihydrochromen-3-yl]propan-1-one
CID 91061937
(2R,3S)-3-benzyl-2-(3,4-dihydroxyphenyl)-2,4-dihydrochromene-3,5,7-triol
CID 91206714
2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol
CID 71007772
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 1203
benzene-1,3,5-triol;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 68742693
(2R)-2-(3,4-dihydroxyphenyl)-3-ethyl-3,4-dihydro-2H-chromene-5,7-diol
CID 143454055
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-one
CID 70318924
(3R)-2,4-dideuterio-2-(3,4-dihydroxyphenyl)-3,4-dihydrochromene-3,5,7-triol
CID 118886882
2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-2H-chromen-3-yl]acetic acid
CID 175761894
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] N,N-dimethylcarbamate
CID 86271533
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
CID 10763760

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol?
The IUPAC name of (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol (CID 71260763) is (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol.
What is the SMILES notation for (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol?
The canonical SMILES for (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol is C[C@@]1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1.
What is the InChIKey of (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol?
The InChIKey is BBDWMQGDVLQOSW-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3/t15?,16-/m1/s1.
What are the key properties of (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol?
(3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol has a molecular weight of 304.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol is sourced from PubChem (CID 71260763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).