5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol

C108H97ClO35 — CID 157392719

IUPAC5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol
SMILESCOc1ccc(C2=Cc3cc(O)c(O)c(O)c3OC2)cc1.Cc1c(O)c(O)cc2c1OCC(c1ccc(O)cc1)=C2.Cc1c(O)c(O)cc2c1OCC(c1ccc(O)cc1)C2O.Oc1cc2c(cc1O)C(O)C(c1ccc(O)c(O)c1O)CO2.Oc1cc2c(cc1O)C(O)C(c1ccccc1)CO2.Oc1ccc(C2=Cc3c(cc(O)c(O)c3Cl)OC2)cc1.Oc1ccc(C2COc3c(cc(O)c(O)c3O)C2O)cc1
InChIInChI=1S/C16H14O5.C16H16O5.C16H14O4.C15H11ClO4.C15H14O7.C15H14O6.C15H14O4/c1-20-12-4-2-9(3-5-12)11-6-10-7-13(17)14(18)15(19)16(10)21-8-11;1-8-14(19)13(18)6-11-15(20)12(7-21-16(8)11)9-2-4-10(17)5-3-9;1-9-15(19)14(18)7-11-6-12(8-20-16(9)11)10-2-4-13(17)5-3-10;16-14-11-5-9(8-1-3-10(17)4-2-8)7-20-13(11)6-12(18)15(14)19;16-9-2-1-6(14(20)15(9)21)8-5-22-12-4-11(18)10(17)3-7(12)13(8)19;16-8-3-1-7(2-4-8)10-6-21-15-9(12(10)18)5-11(17)13(19)14(15)20;16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h2-7,17-19H,8H2,1H3;2-6,12,15,17-20H,7H2,1H3;2-7,17-19H,8H2,1H3;1-6,17-19H,7H2;1-4,8,13,16-21H,5H2;1-5,10,12,16-20H,6H2;1-7,11,15-18H,8H2
InChIKeyBMESTNQCCKKIBG-UHFFFAOYSA-N
MW1990.38 g/mol
LogP16.95
Rot. Bonds8

About 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol

5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol (PubChem CID 157392719) has the molecular formula C108H97ClO35 and a molecular weight of 1990.38 g/mol. Its IUPAC name is 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol.

Molecular Properties

Compound Name5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol
PubChem CID157392719
Molecular FormulaC108H97ClO35
Molecular Weight1990.38 g/mol
Exact Mass1988.55
IUPAC Name5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol
SMILESCOc1ccc(C2=Cc3cc(O)c(O)c(O)c3OC2)cc1.Cc1c(O)c(O)cc2c1OCC(c1ccc(O)cc1)=C2.Cc1c(O)c(O)cc2c1OCC(c1ccc(O)cc1)C2O.Oc1cc2c(cc1O)C(O)C(c1ccc(O)c(O)c1O)CO2.Oc1cc2c(cc1O)C(O)C(c1ccccc1)CO2.Oc1ccc(C2=Cc3c(cc(O)c(O)c3Cl)OC2)cc1.Oc1ccc(C2COc3c(cc(O)c(O)c3O)C2O)cc1
InChIInChI=1S/C16H14O5.C16H16O5.C16H14O4.C15H11ClO4.C15H14O7.C15H14O6.C15H14O4/c1-20-12-4-2-9(3-5-12)11-6-10-7-13(17)14(18)15(19)16(10)21-8-11;1-8-14(19)13(18)6-11-15(20)12(7-21-16(8)11)9-2-4-10(17)5-3-9;1-9-15(19)14(18)7-11-6-12(8-20-16(9)11)10-2-4-13(17)5-3-10;16-14-11-5-9(8-1-3-10(17)4-2-8)7-20-13(11)6-12(18)15(14)19;16-9-2-1-6(14(20)15(9)21)8-5-22-12-4-11(18)10(17)3-7(12)13(8)19;16-8-3-1-7(2-4-8)10-6-21-15-9(12(10)18)5-11(17)13(19)14(15)20;16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h2-7,17-19H,8H2,1H3;2-6,12,15,17-20H,7H2,1H3;2-7,17-19H,8H2,1H3;1-6,17-19H,7H2;1-4,8,13,16-21H,5H2;1-5,10,12,16-20H,6H2;1-7,11,15-18H,8H2
InChIKeyBMESTNQCCKKIBG-UHFFFAOYSA-N
XLogP16.95
TPSA620.05 Ų
H-Bond Donors27
H-Bond Acceptors35
Rotatable Bonds8
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.38
LogP ≤ 516.95
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol?
The IUPAC name of 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol (CID 157392719) is 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol.
What is the SMILES notation for 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol?
The canonical SMILES for 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol is COc1ccc(C2=Cc3cc(O)c(O)c(O)c3OC2)cc1.Cc1c(O)c(O)cc2c1OCC(c1ccc(O)cc1)=C2.Cc1c(O)c(O)cc2c1OCC(c1ccc(O)cc1)C2O.Oc1cc2c(cc1O)C(O)C(c1ccc(O)c(O)c1O)CO2.Oc1cc2c(cc1O)C(O)C(c1ccccc1)CO2.Oc1ccc(C2=Cc3c(cc(O)c(O)c3Cl)OC2)cc1.Oc1ccc(C2COc3c(cc(O)c(O)c3O)C2O)cc1.
What is the InChIKey of 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol?
The InChIKey is BMESTNQCCKKIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5.C16H16O5.C16H14O4.C15H11ClO4.C15H14O7.C15H14O6.C15H14O4/c1-20-12-4-2-9(3-5-12)11-6-10-7-13(17)14(18)15(19)16(10)21-8-11;1-8-14(19)13(18)6-11-15(20)12(7-21-16(8)11)9-2-4-10(17)5-3-9;1-9-15(19)14(18)7-11-6-12(8-20-16(9)11)10-2-4-13(17)5-3-10;16-14-11-5-9(8-1-3-10(17)4-2-8)7-20-13(11)6-12(18)15(14)19;16-9-2-1-6(14(20)15(9)21)8-5-22-12-4-11(18)10(17)3-7(12)13(8)19;16-8-3-1-7(2-4-8)10-6-21-15-9(12(10)18)5-11(17)13(19)14(15)20;16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h2-7,17-19H,8H2,1H3;2-6,12,15,17-20H,7H2,1H3;2-7,17-19H,8H2,1H3;1-6,17-19H,7H2;1-4,8,13,16-21H,5H2;1-5,10,12,16-20H,6H2;1-7,11,15-18H,8H2.
What are the key properties of 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol?
5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol has a molecular weight of 1990.38 g/mol, XLogP of 16.95, 8 rotatable bonds, 27 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-hydroxyphenyl)-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7,8-tetrol;3-(4-hydroxyphenyl)-8-methyl-2H-chromene-6,7-diol;3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(4-methoxyphenyl)-2H-chromene-6,7,8-triol;3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol;3-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,6,7-triol is sourced from PubChem (CID 157392719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).