2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol

C194H202Cl2O25 — CID 158735527

IUPAC2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
SMILESCc1cc(Cc2c(C)cc(C)c(Cc3ccc(O)c(C)c3)c2O)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)c(O)c(Cc2cc(C)cc(Cc3cc(C)c(O)c(C)c3)c2O)c1.Cc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)c(C)c3)c2C)ccc1O.Cc1cc(Cc2cc(C)c(O)cc2C)c(O)c(Cc2cc(C)c(O)cc2C)c1.Cc1cc(Cc2ccc(O)c(C)c2)c(O)c(Cc2ccc(O)c(C)c2)c1.Cc1cc(Cc2ccc(O)c(Cl)c2)c(O)c(Cc2ccc(O)c(Cl)c2)c1.Cc1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1.Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1
InChIInChI=1S/C33H36O4.C25H28O3.2C24H26O3.2C23H24O3.C21H18Cl2O3.C21H20O3/c1-18-7-26(15-24-11-20(3)30(34)21(4)12-24)32(36)28(9-18)17-29-10-19(2)8-27(33(29)37)16-25-13-22(5)31(35)23(6)14-25;1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3;1-14-9-18(5-7-22(14)25)12-20-11-16(3)24(27)21(17(20)4)13-19-6-8-23(26)15(2)10-19;1-14-9-15(2)21(13-19-6-8-23(26)17(4)11-19)24(27)20(14)12-18-5-7-22(25)16(3)10-18;1-14-8-19(12-17-4-6-21(24)15(2)10-17)23(26)20(9-14)13-18-5-7-22(25)16(3)11-18;1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;1-12-6-15(8-13-2-4-19(24)17(22)10-13)21(26)16(7-12)9-14-3-5-20(25)18(23)11-14;1-14-10-17(12-15-2-6-19(22)7-3-15)21(24)18(11-14)13-16-4-8-20(23)9-5-16/h7-14,34-37H,15-17H2,1-6H3;6-11,26-28H,12-13H2,1-5H3;2*5-11,25-27H,12-13H2,1-4H3;2*4-11,24-26H,12-13H2,1-3H3;2-7,10-11,24-26H,8-9H2,1H3;2-11,22-24H,12-13H2,1H3
InChIKeyILQAAVFWULJXEP-UHFFFAOYSA-N
MW3004.63 g/mol
LogP42.81
Rot. Bonds34

About 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol

2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol (PubChem CID 158735527) has the molecular formula C194H202Cl2O25 and a molecular weight of 3004.63 g/mol. Its IUPAC name is 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
PubChem CID158735527
Molecular FormulaC194H202Cl2O25
Molecular Weight3004.63 g/mol
Exact Mass3001.39
IUPAC Name2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
SMILESCc1cc(Cc2c(C)cc(C)c(Cc3ccc(O)c(C)c3)c2O)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)c(O)c(Cc2cc(C)cc(Cc3cc(C)c(O)c(C)c3)c2O)c1.Cc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)c(C)c3)c2C)ccc1O.Cc1cc(Cc2cc(C)c(O)cc2C)c(O)c(Cc2cc(C)c(O)cc2C)c1.Cc1cc(Cc2ccc(O)c(C)c2)c(O)c(Cc2ccc(O)c(C)c2)c1.Cc1cc(Cc2ccc(O)c(Cl)c2)c(O)c(Cc2ccc(O)c(Cl)c2)c1.Cc1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1.Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1
InChIInChI=1S/C33H36O4.C25H28O3.2C24H26O3.2C23H24O3.C21H18Cl2O3.C21H20O3/c1-18-7-26(15-24-11-20(3)30(34)21(4)12-24)32(36)28(9-18)17-29-10-19(2)8-27(33(29)37)16-25-13-22(5)31(35)23(6)14-25;1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3;1-14-9-18(5-7-22(14)25)12-20-11-16(3)24(27)21(17(20)4)13-19-6-8-23(26)15(2)10-19;1-14-9-15(2)21(13-19-6-8-23(26)17(4)11-19)24(27)20(14)12-18-5-7-22(25)16(3)10-18;1-14-8-19(12-17-4-6-21(24)15(2)10-17)23(26)20(9-14)13-18-5-7-22(25)16(3)11-18;1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;1-12-6-15(8-13-2-4-19(24)17(22)10-13)21(26)16(7-12)9-14-3-5-20(25)18(23)11-14;1-14-10-17(12-15-2-6-19(22)7-3-15)21(24)18(11-14)13-16-4-8-20(23)9-5-16/h7-14,34-37H,15-17H2,1-6H3;6-11,26-28H,12-13H2,1-5H3;2*5-11,25-27H,12-13H2,1-4H3;2*4-11,24-26H,12-13H2,1-3H3;2-7,10-11,24-26H,8-9H2,1H3;2-11,22-24H,12-13H2,1H3
InChIKeyILQAAVFWULJXEP-UHFFFAOYSA-N
XLogP42.81
TPSA505.75 Ų
H-Bond Donors25
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003004.63
LogP ≤ 542.81
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1025

Analyze 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol?
The IUPAC name of 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol (CID 158735527) is 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol.
What is the SMILES notation for 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol?
The canonical SMILES for 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol is Cc1cc(Cc2c(C)cc(C)c(Cc3ccc(O)c(C)c3)c2O)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)c(O)c(Cc2cc(C)cc(Cc3cc(C)c(O)c(C)c3)c2O)c1.Cc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)c(C)c3)c2C)ccc1O.Cc1cc(Cc2cc(C)c(O)cc2C)c(O)c(Cc2cc(C)c(O)cc2C)c1.Cc1cc(Cc2ccc(O)c(C)c2)c(O)c(Cc2ccc(O)c(C)c2)c1.Cc1cc(Cc2ccc(O)c(Cl)c2)c(O)c(Cc2ccc(O)c(Cl)c2)c1.Cc1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1.Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1.
What is the InChIKey of 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol?
The InChIKey is ILQAAVFWULJXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O4.C25H28O3.2C24H26O3.2C23H24O3.C21H18Cl2O3.C21H20O3/c1-18-7-26(15-24-11-20(3)30(34)21(4)12-24)32(36)28(9-18)17-29-10-19(2)8-27(33(29)37)16-25-13-22(5)31(35)23(6)14-25;1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3;1-14-9-18(5-7-22(14)25)12-20-11-16(3)24(27)21(17(20)4)13-19-6-8-23(26)15(2)10-19;1-14-9-15(2)21(13-19-6-8-23(26)17(4)11-19)24(27)20(14)12-18-5-7-22(25)16(3)10-18;1-14-8-19(12-17-4-6-21(24)15(2)10-17)23(26)20(9-14)13-18-5-7-22(25)16(3)11-18;1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;1-12-6-15(8-13-2-4-19(24)17(22)10-13)21(26)16(7-12)9-14-3-5-20(25)18(23)11-14;1-14-10-17(12-15-2-6-19(22)7-3-15)21(24)18(11-14)13-16-4-8-20(23)9-5-16/h7-14,34-37H,15-17H2,1-6H3;6-11,26-28H,12-13H2,1-5H3;2*5-11,25-27H,12-13H2,1-4H3;2*4-11,24-26H,12-13H2,1-3H3;2-7,10-11,24-26H,8-9H2,1H3;2-11,22-24H,12-13H2,1H3.
What are the key properties of 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol?
2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol has a molecular weight of 3004.63 g/mol, XLogP of 42.81, 34 rotatable bonds, 25 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol is sourced from PubChem (CID 158735527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).