acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol

C19H20Cl4O6 — CID 71359679

IUPACacetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(=O)O.CC(=O)O.CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl4O2.2C2H4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;2*1-2(3)4/h3-6,20-21H,1-2H3;2*1H3,(H,3,4)
InChIKeyXGYYMUQSZQZYSX-UHFFFAOYSA-N
MW486.18 g/mol
LogP6.22
Rot. Bonds2

About acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol

acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 71359679) has the molecular formula C19H20Cl4O6 and a molecular weight of 486.18 g/mol. Its IUPAC name is acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Nameacetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID71359679
Molecular FormulaC19H20Cl4O6
Molecular Weight486.18 g/mol
Exact Mass484.00
IUPAC Nameacetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(=O)O.CC(=O)O.CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl4O2.2C2H4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;2*1-2(3)4/h3-6,20-21H,1-2H3;2*1H3,(H,3,4)
InChIKeyXGYYMUQSZQZYSX-UHFFFAOYSA-N
XLogP6.22
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.18
LogP ≤ 56.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol (CID 71359679) is acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol is CC(=O)O.CC(=O)O.CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is XGYYMUQSZQZYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O2.2C2H4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;2*1-2(3)4/h3-6,20-21H,1-2H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 486.18 g/mol, XLogP of 6.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 71359679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).