4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol

C126H103Cl5O30 — CID 158690592

IUPAC4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol
SMILESCOc1cc(C2=Cc3c(C)cc(O)cc3OC2)cc(O)c1O.COc1cc(C2=Cc3c(C)cc(O)cc3OC2)ccc1O.Cc1cc(O)c(Cl)c2c1C=C(c1ccc(O)c(O)c1)CO2.Cc1cc(O)cc2c1C=C(c1cccc(O)c1)CO2.Oc1cc(Cl)c2c(c1)OCC(c1ccc(O)c(O)c1)=C2.Oc1ccc(C2=Cc3c(Cl)cc(O)cc3OC2)cc1.Oc1ccc(C2=Cc3cc(Cl)c(O)cc3OC2)cc1.Oc1ccc(C2=Cc3cc(Cl)c(O)cc3OC2)cc1O
InChIInChI=1S/C17H16O5.C17H16O4.C16H13ClO4.C16H14O3.2C15H11ClO4.2C15H11ClO3/c1-9-3-12(18)7-15-13(9)4-11(8-22-15)10-5-14(19)17(20)16(6-10)21-2;1-10-5-13(18)8-16-14(10)6-12(9-21-16)11-3-4-15(19)17(7-11)20-2;1-8-4-14(20)15(17)16-11(8)5-10(7-21-16)9-2-3-12(18)13(19)6-9;1-10-5-14(18)8-16-15(10)7-12(9-19-16)11-3-2-4-13(17)6-11;16-11-4-9-3-10(7-20-15(9)6-13(11)18)8-1-2-12(17)14(19)5-8;16-12-5-10(17)6-15-11(12)3-9(7-20-15)8-1-2-13(18)14(19)4-8;16-14-6-12(18)7-15-13(14)5-10(8-19-15)9-1-3-11(17)4-2-9;16-13-6-10-5-11(8-19-15(10)7-14(13)18)9-1-3-12(17)4-2-9/h3-7,18-20H,8H2,1-2H3;3-8,18-19H,9H2,1-2H3;2-6,18-20H,7H2,1H3;2-8,17-18H,9H2,1H3;2*1-6,17-19H,7H2;2*1-7,17-18H,8H2
InChIKeyIGHKWHBMUUBEKN-UHFFFAOYSA-N
MW2274.44 g/mol
LogP27.59
Rot. Bonds10

About 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol

4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol (PubChem CID 158690592) has the molecular formula C126H103Cl5O30 and a molecular weight of 2274.44 g/mol. Its IUPAC name is 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol
PubChem CID158690592
Molecular FormulaC126H103Cl5O30
Molecular Weight2274.44 g/mol
Exact Mass2270.50
IUPAC Name4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol
SMILESCOc1cc(C2=Cc3c(C)cc(O)cc3OC2)cc(O)c1O.COc1cc(C2=Cc3c(C)cc(O)cc3OC2)ccc1O.Cc1cc(O)c(Cl)c2c1C=C(c1ccc(O)c(O)c1)CO2.Cc1cc(O)cc2c1C=C(c1cccc(O)c1)CO2.Oc1cc(Cl)c2c(c1)OCC(c1ccc(O)c(O)c1)=C2.Oc1ccc(C2=Cc3c(Cl)cc(O)cc3OC2)cc1.Oc1ccc(C2=Cc3cc(Cl)c(O)cc3OC2)cc1.Oc1ccc(C2=Cc3cc(Cl)c(O)cc3OC2)cc1O
InChIInChI=1S/C17H16O5.C17H16O4.C16H13ClO4.C16H14O3.2C15H11ClO4.2C15H11ClO3/c1-9-3-12(18)7-15-13(9)4-11(8-22-15)10-5-14(19)17(20)16(6-10)21-2;1-10-5-13(18)8-16-14(10)6-12(9-21-16)11-3-4-15(19)17(7-11)20-2;1-8-4-14(20)15(17)16-11(8)5-10(7-21-16)9-2-3-12(18)13(19)6-9;1-10-5-14(18)8-16-15(10)7-12(9-19-16)11-3-2-4-13(17)6-11;16-11-4-9-3-10(7-20-15(9)6-13(11)18)8-1-2-12(17)14(19)5-8;16-12-5-10(17)6-15-11(12)3-9(7-20-15)8-1-2-13(18)14(19)4-8;16-14-6-12(18)7-15-13(14)5-10(8-19-15)9-1-3-11(17)4-2-9;16-13-6-10-5-11(8-19-15(10)7-14(13)18)9-1-3-12(17)4-2-9/h3-7,18-20H,8H2,1-2H3;3-8,18-19H,9H2,1-2H3;2-6,18-20H,7H2,1H3;2-8,17-18H,9H2,1H3;2*1-6,17-19H,7H2;2*1-7,17-18H,8H2
InChIKeyIGHKWHBMUUBEKN-UHFFFAOYSA-N
XLogP27.59
TPSA496.90 Ų
H-Bond Donors20
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.44
LogP ≤ 527.59
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1030

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 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol?
The IUPAC name of 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol (CID 158690592) is 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol.
What is the SMILES notation for 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol?
The canonical SMILES for 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol is COc1cc(C2=Cc3c(C)cc(O)cc3OC2)cc(O)c1O.COc1cc(C2=Cc3c(C)cc(O)cc3OC2)ccc1O.Cc1cc(O)c(Cl)c2c1C=C(c1ccc(O)c(O)c1)CO2.Cc1cc(O)cc2c1C=C(c1cccc(O)c1)CO2.Oc1cc(Cl)c2c(c1)OCC(c1ccc(O)c(O)c1)=C2.Oc1ccc(C2=Cc3c(Cl)cc(O)cc3OC2)cc1.Oc1ccc(C2=Cc3cc(Cl)c(O)cc3OC2)cc1.Oc1ccc(C2=Cc3cc(Cl)c(O)cc3OC2)cc1O.
What is the InChIKey of 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol?
The InChIKey is IGHKWHBMUUBEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5.C17H16O4.C16H13ClO4.C16H14O3.2C15H11ClO4.2C15H11ClO3/c1-9-3-12(18)7-15-13(9)4-11(8-22-15)10-5-14(19)17(20)16(6-10)21-2;1-10-5-13(18)8-16-14(10)6-12(9-21-16)11-3-4-15(19)17(7-11)20-2;1-8-4-14(20)15(17)16-11(8)5-10(7-21-16)9-2-3-12(18)13(19)6-9;1-10-5-14(18)8-16-15(10)7-12(9-19-16)11-3-2-4-13(17)6-11;16-11-4-9-3-10(7-20-15(9)6-13(11)18)8-1-2-12(17)14(19)5-8;16-12-5-10(17)6-15-11(12)3-9(7-20-15)8-1-2-13(18)14(19)4-8;16-14-6-12(18)7-15-13(14)5-10(8-19-15)9-1-3-11(17)4-2-9;16-13-6-10-5-11(8-19-15(10)7-14(13)18)9-1-3-12(17)4-2-9/h3-7,18-20H,8H2,1-2H3;3-8,18-19H,9H2,1-2H3;2-6,18-20H,7H2,1H3;2-8,17-18H,9H2,1H3;2*1-6,17-19H,7H2;2*1-7,17-18H,8H2.
What are the key properties of 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol?
4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol has a molecular weight of 2274.44 g/mol, XLogP of 27.59, 10 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(6-chloro-7-hydroxy-2H-chromen-3-yl)benzene-1,2-diol;4-(8-chloro-7-hydroxy-5-methyl-2H-chromen-3-yl)benzene-1,2-diol;5-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;6-chloro-3-(4-hydroxyphenyl)-2H-chromen-7-ol;3-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-chromen-7-ol;5-(7-hydroxy-5-methyl-2H-chromen-3-yl)-3-methoxybenzene-1,2-diol;3-(3-hydroxyphenyl)-5-methyl-2H-chromen-7-ol is sourced from PubChem (CID 158690592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).