2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol

C34H38Cl2O4 — CID 161473279

IUPAC2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
SMILESCC(C)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C19H24O2.C15H14Cl2O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16;1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h7-10,20-21H,1-6H3;3-8,18-19H,1-2H3
InChIKeyWDJJAULTQYVKQV-UHFFFAOYSA-N
MW581.58 g/mol
LogP9.39
Rot. Bonds4

About 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol

2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol (PubChem CID 161473279) has the molecular formula C34H38Cl2O4 and a molecular weight of 581.58 g/mol. Its IUPAC name is 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
PubChem CID161473279
Molecular FormulaC34H38Cl2O4
Molecular Weight581.58 g/mol
Exact Mass580.21
IUPAC Name2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
SMILESCC(C)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C19H24O2.C15H14Cl2O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16;1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h7-10,20-21H,1-6H3;3-8,18-19H,1-2H3
InChIKeyWDJJAULTQYVKQV-UHFFFAOYSA-N
XLogP9.39
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.58
LogP ≤ 59.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?
The IUPAC name of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol (CID 161473279) is 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol is CC(C)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?
The InChIKey is WDJJAULTQYVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2.C15H14Cl2O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16;1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h7-10,20-21H,1-6H3;3-8,18-19H,1-2H3.
What are the key properties of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol has a molecular weight of 581.58 g/mol, XLogP of 9.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 161473279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).