(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

C22H20O6 — CID 162952833

IUPAC(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
SMILESCc1cc(O)cc(O)c1[C@H]1c2ccc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O
InChIInChI=1S/C22H20O6/c1-11-8-15(25)9-17(26)19(11)20-16-7-6-14(24)10-18(16)28-22(21(20)27)12-2-4-13(23)5-3-12/h2-10,20-27H,1H3/t20-,21+,22-/m1/s1
InChIKeyBOQHWAHDEDILLJ-BHIFYINESA-N
MW380.40 g/mol
LogP3.44
Rot. Bonds2

About (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (PubChem CID 162952833) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.

Molecular Properties

Compound Name(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
PubChem CID162952833
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
SMILESCc1cc(O)cc(O)c1[C@H]1c2ccc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O
InChIInChI=1S/C22H20O6/c1-11-8-15(25)9-17(26)19(11)20-16-7-6-14(24)10-18(16)28-22(21(20)27)12-2-4-13(23)5-3-12/h2-10,20-27H,1H3/t20-,21+,22-/m1/s1
InChIKeyBOQHWAHDEDILLJ-BHIFYINESA-N
XLogP3.44
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162880555
(2R,3R,4R)-4-[2-[2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dihydroxyphenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162901895
(2S,3S)-8-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 163184600
(6R,6aS,11S,11aS)-11-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-6,6a,11,11a-tetrahydroindeno[1,2-c]chromene-3,8,10-triol
CID 162957937
(2R,3S,4S)-2-[2-[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4,5-trihydroxyphenyl]-3,4-dihydro-2H-chromene-3,4,7-triol
CID 162935370
(2R,3S)-6-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162972223
(2S,3S)-6-[(2R,3S,4R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162972222
(2R,3S,4R)-4-(2,4-dihydroxy-3-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 14463100
6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
CID 14161596
2-phenyl-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
CID 66548355
(1S,8R,16R)-9-[(1S,8R,16R)-6,12-dihydroxy-8,16-bis(4-hydroxyphenyl)-4-methyl-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CID 46890013
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The IUPAC name of (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (CID 162952833) is (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.
What is the SMILES notation for (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The canonical SMILES for (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is Cc1cc(O)cc(O)c1[C@H]1c2ccc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O.
What is the InChIKey of (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The InChIKey is BOQHWAHDEDILLJ-BHIFYINESA-N. The full InChI is InChI=1S/C22H20O6/c1-11-8-15(25)9-17(26)19(11)20-16-7-6-14(24)10-18(16)28-22(21(20)27)12-2-4-13(23)5-3-12/h2-10,20-27H,1H3/t20-,21+,22-/m1/s1.
What are the key properties of (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol has a molecular weight of 380.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is sourced from PubChem (CID 162952833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).