4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol

C15H14Cl2O2 — CID 91469275

IUPAC4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol
SMILESCCc1c(Cl)ccc(O)c1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H14Cl2O2/c1-3-11-13(17)6-7-14(18)15(11)19-10-4-5-12(16)9(2)8-10/h4-8,18H,3H2,1-2H3
InChIKeyOCXNJQUVOWGPNK-UHFFFAOYSA-N
MW297.18 g/mol
LogP5.36
Rot. Bonds3

About 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol

4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol (PubChem CID 91469275) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol
PubChem CID91469275
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol
SMILESCCc1c(Cl)ccc(O)c1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H14Cl2O2/c1-3-11-13(17)6-7-14(18)15(11)19-10-4-5-12(16)9(2)8-10/h4-8,18H,3H2,1-2H3
InChIKeyOCXNJQUVOWGPNK-UHFFFAOYSA-N
XLogP5.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol?
The IUPAC name of 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol (CID 91469275) is 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol.
What is the SMILES notation for 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol?
The canonical SMILES for 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol is CCc1c(Cl)ccc(O)c1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol?
The InChIKey is OCXNJQUVOWGPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-3-11-13(17)6-7-14(18)15(11)19-10-4-5-12(16)9(2)8-10/h4-8,18H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol?
4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol has a molecular weight of 297.18 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol is sourced from PubChem (CID 91469275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).