6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol

C20H22O6 — CID 46830466

IUPAC6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol
SMILESCC1(C)Oc2ccc([C@H]3COc4cc(O)ccc4[C@@H]3O)c(O)c2CC1O
InChIInChI=1S/C20H22O6/c1-20(2)17(22)8-13-15(26-20)6-5-11(18(13)23)14-9-25-16-7-10(21)3-4-12(16)19(14)24/h3-7,14,17,19,21-24H,8-9H2,1-2H3/t14-,17?,19+/m1/s1
InChIKeyWNPUFXJKZKMTCL-UKFYSOHNSA-N
MW358.39 g/mol
LogP2.38
Rot. Bonds1

About 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol

6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol (PubChem CID 46830466) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol.

Molecular Properties

Compound Name6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol
PubChem CID46830466
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol
SMILESCC1(C)Oc2ccc([C@H]3COc4cc(O)ccc4[C@@H]3O)c(O)c2CC1O
InChIInChI=1S/C20H22O6/c1-20(2)17(22)8-13-15(26-20)6-5-11(18(13)23)14-9-25-16-7-10(21)3-4-12(16)19(14)24/h3-7,14,17,19,21-24H,8-9H2,1-2H3/t14-,17?,19+/m1/s1
InChIKeyWNPUFXJKZKMTCL-UKFYSOHNSA-N
XLogP2.38
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol with MolForge

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Related Compounds

17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),20-hexaene-7,16-diol
CID 75227278
7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol
CID 162954457
3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol
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(3S)-2,2-dimethyl-5-(2-phenylethyl)-3,4-dihydrochromene-3,7-diol
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3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol
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7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
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(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol
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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol?
The IUPAC name of 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol (CID 46830466) is 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol.
What is the SMILES notation for 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol?
The canonical SMILES for 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol is CC1(C)Oc2ccc([C@H]3COc4cc(O)ccc4[C@@H]3O)c(O)c2CC1O.
What is the InChIKey of 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol?
The InChIKey is WNPUFXJKZKMTCL-UKFYSOHNSA-N. The full InChI is InChI=1S/C20H22O6/c1-20(2)17(22)8-13-15(26-20)6-5-11(18(13)23)14-9-25-16-7-10(21)3-4-12(16)19(14)24/h3-7,14,17,19,21-24H,8-9H2,1-2H3/t14-,17?,19+/m1/s1.
What are the key properties of 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol?
6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol has a molecular weight of 358.39 g/mol, XLogP of 2.38, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol is sourced from PubChem (CID 46830466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).