(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane

C11H14Cl2O3 — CID 154694821

IUPAC(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
SMILESCC.CC(=O)OCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl2O3.C2H6/c1-5(12)14-4-6-2-7(10)9(13)8(11)3-6;1-2/h2-3,13H,4H2,1H3;1-2H3
InChIKeyRNZXNPUOVMHBDF-UHFFFAOYSA-N
MW265.14 g/mol
LogP3.79
Rot. Bonds2

About (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane

(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane (PubChem CID 154694821) has the molecular formula C11H14Cl2O3 and a molecular weight of 265.14 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
PubChem CID154694821
Molecular FormulaC11H14Cl2O3
Molecular Weight265.14 g/mol
Exact Mass264.03
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
SMILESCC.CC(=O)OCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl2O3.C2H6/c1-5(12)14-4-6-2-7(10)9(13)8(11)3-6;1-2/h2-3,13H,4H2,1H3;1-2H3
InChIKeyRNZXNPUOVMHBDF-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane (CID 154694821) is (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane is CC.CC(=O)OCc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane?
The InChIKey is RNZXNPUOVMHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3.C2H6/c1-5(12)14-4-6-2-7(10)9(13)8(11)3-6;1-2/h2-3,13H,4H2,1H3;1-2H3.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane?
(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane has a molecular weight of 265.14 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane is sourced from PubChem (CID 154694821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).