4-chlorophenol;2-(4-chlorophenoxy)ethyl formate

C15H14Cl2O4 — CID 88673845

IUPAC4-chlorophenol;2-(4-chlorophenoxy)ethyl formate
SMILESO=COCCOc1ccc(Cl)cc1.Oc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3.C6H5ClO/c10-8-1-3-9(4-2-8)13-6-5-12-7-11;7-5-1-3-6(8)4-2-5/h1-4,7H,5-6H2;1-4,8H
InChIKeyIXLRHDYGZZWNMY-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.94
Rot. Bonds5

About 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate

4-chlorophenol;2-(4-chlorophenoxy)ethyl formate (PubChem CID 88673845) has the molecular formula C15H14Cl2O4 and a molecular weight of 329.18 g/mol. Its IUPAC name is 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate.

Molecular Properties

Compound Name4-chlorophenol;2-(4-chlorophenoxy)ethyl formate
PubChem CID88673845
Molecular FormulaC15H14Cl2O4
Molecular Weight329.18 g/mol
Exact Mass328.03
IUPAC Name4-chlorophenol;2-(4-chlorophenoxy)ethyl formate
SMILESO=COCCOc1ccc(Cl)cc1.Oc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3.C6H5ClO/c10-8-1-3-9(4-2-8)13-6-5-12-7-11;7-5-1-3-6(8)4-2-5/h1-4,7H,5-6H2;1-4,8H
InChIKeyIXLRHDYGZZWNMY-UHFFFAOYSA-N
XLogP3.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate?
The IUPAC name of 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate (CID 88673845) is 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate.
What is the SMILES notation for 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate?
The canonical SMILES for 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate is O=COCCOc1ccc(Cl)cc1.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate?
The InChIKey is IXLRHDYGZZWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3.C6H5ClO/c10-8-1-3-9(4-2-8)13-6-5-12-7-11;7-5-1-3-6(8)4-2-5/h1-4,7H,5-6H2;1-4,8H.
What are the key properties of 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate?
4-chlorophenol;2-(4-chlorophenoxy)ethyl formate has a molecular weight of 329.18 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;2-(4-chlorophenoxy)ethyl formate is sourced from PubChem (CID 88673845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).