(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

C111H102O19 — CID 158587612

IUPAC(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2c3ccc(O)c(C)c3OC[C@H]2c2ccc(O)cc2)cc1.COc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1.Cc1cc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)ccc1O.Cc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1C.Oc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O4.C23H22O3.2C22H20O4.C21H18O4/c1-14-21(25)12-11-19-22(16-5-9-18(26-2)10-6-16)20(13-27-23(14)19)15-3-7-17(24)8-4-15;1-14-3-4-17(11-15(14)2)23-20-10-9-19(25)12-22(20)26-13-21(23)16-5-7-18(24)8-6-16;1-25-18-9-4-15(5-10-18)22-19-11-8-17(24)12-21(19)26-13-20(22)14-2-6-16(23)7-3-14;1-13-10-15(4-9-20(13)25)22-18-8-7-17(24)11-21(18)26-12-19(22)14-2-5-16(23)6-3-14;22-15-5-1-13(2-6-15)19-12-25-20-11-17(24)9-10-18(20)21(19)14-3-7-16(23)8-4-14/h3-12,20,22,24-25H,13H2,1-2H3;3-12,21,23-25H,13H2,1-2H3;2-12,20,22-24H,13H2,1H3;2-11,19,22-25H,12H2,1H3;1-11,19,21-24H,12H2/t20-,22-;21-,23-;20-,22-;19-,22-;19-,21-/m00000/s1
InChIKeyHUAHHPFYBDFEAP-IFWKDUGMSA-N
MW1740.02 g/mol
LogP22.69
Rot. Bonds12

About (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 158587612) has the molecular formula C111H102O19 and a molecular weight of 1740.02 g/mol. Its IUPAC name is (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID158587612
Molecular FormulaC111H102O19
Molecular Weight1740.02 g/mol
Exact Mass1738.70
IUPAC Name(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2c3ccc(O)c(C)c3OC[C@H]2c2ccc(O)cc2)cc1.COc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1.Cc1cc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)ccc1O.Cc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1C.Oc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O4.C23H22O3.2C22H20O4.C21H18O4/c1-14-21(25)12-11-19-22(16-5-9-18(26-2)10-6-16)20(13-27-23(14)19)15-3-7-17(24)8-4-15;1-14-3-4-17(11-15(14)2)23-20-10-9-19(25)12-22(20)26-13-21(23)16-5-7-18(24)8-6-16;1-25-18-9-4-15(5-10-18)22-19-11-8-17(24)12-21(19)26-13-20(22)14-2-6-16(23)7-3-14;1-13-10-15(4-9-20(13)25)22-18-8-7-17(24)11-21(18)26-12-19(22)14-2-5-16(23)6-3-14;22-15-5-1-13(2-6-15)19-12-25-20-11-17(24)9-10-18(20)21(19)14-3-7-16(23)8-4-14/h3-12,20,22,24-25H,13H2,1-2H3;3-12,21,23-25H,13H2,1-2H3;2-12,20,22-24H,13H2,1H3;2-11,19,22-25H,12H2,1H3;1-11,19,21-24H,12H2/t20-,22-;21-,23-;20-,22-;19-,22-;19-,21-/m00000/s1
InChIKeyHUAHHPFYBDFEAP-IFWKDUGMSA-N
XLogP22.69
TPSA307.37 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001740.02
LogP ≤ 522.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (CID 158587612) is (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is COc1ccc([C@H]2c3ccc(O)c(C)c3OC[C@H]2c2ccc(O)cc2)cc1.COc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1.Cc1cc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)ccc1O.Cc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1C.Oc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1.
What is the InChIKey of (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is HUAHHPFYBDFEAP-IFWKDUGMSA-N. The full InChI is InChI=1S/C23H22O4.C23H22O3.2C22H20O4.C21H18O4/c1-14-21(25)12-11-19-22(16-5-9-18(26-2)10-6-16)20(13-27-23(14)19)15-3-7-17(24)8-4-15;1-14-3-4-17(11-15(14)2)23-20-10-9-19(25)12-22(20)26-13-21(23)16-5-7-18(24)8-6-16;1-25-18-9-4-15(5-10-18)22-19-11-8-17(24)12-21(19)26-13-20(22)14-2-6-16(23)7-3-14;1-13-10-15(4-9-20(13)25)22-18-8-7-17(24)11-21(18)26-12-19(22)14-2-5-16(23)6-3-14;22-15-5-1-13(2-6-15)19-12-25-20-11-17(24)9-10-18(20)21(19)14-3-7-16(23)8-4-14/h3-12,20,22,24-25H,13H2,1-2H3;3-12,21,23-25H,13H2,1-2H3;2-12,20,22-24H,13H2,1H3;2-11,19,22-25H,12H2,1H3;1-11,19,21-24H,12H2/t20-,22-;21-,23-;20-,22-;19-,22-;19-,21-/m00000/s1.
What are the key properties of (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 1740.02 g/mol, XLogP of 22.69, 12 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 158587612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).