2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid

C25H14Cl6O5 — CID 143150419

IUPAC2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)ccc1O.Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H8Cl2O3.C12H6Cl4O2/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-6,16H,(H,17,18);1-4,17-18H
InChIKeyFRYLHLVQDPYILH-UHFFFAOYSA-N
MW607.10 g/mol
LogP9.44
Rot. Bonds3

About 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid

2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid (PubChem CID 143150419) has the molecular formula C25H14Cl6O5 and a molecular weight of 607.10 g/mol. Its IUPAC name is 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
PubChem CID143150419
Molecular FormulaC25H14Cl6O5
Molecular Weight607.10 g/mol
Exact Mass603.90
IUPAC Name2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)ccc1O.Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H8Cl2O3.C12H6Cl4O2/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-6,16H,(H,17,18);1-4,17-18H
InChIKeyFRYLHLVQDPYILH-UHFFFAOYSA-N
XLogP9.44
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.10
LogP ≤ 59.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid?
The IUPAC name of 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid (CID 143150419) is 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid is O=C(O)c1cc(-c2ccc(Cl)cc2Cl)ccc1O.Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid?
The InChIKey is FRYLHLVQDPYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3.C12H6Cl4O2/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-6,16H,(H,17,18);1-4,17-18H.
What are the key properties of 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid?
2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid has a molecular weight of 607.10 g/mol, XLogP of 9.44, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 143150419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).