2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone

C14H11ClO4 — CID 2066126

IUPAC2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H11ClO4/c15-9-1-4-11(5-2-9)19-8-14(18)12-6-3-10(16)7-13(12)17/h1-7,16-17H,8H2
InChIKeyDDBGVQHDFCGXGM-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.01
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone

2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 2066126) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID2066126
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H11ClO4/c15-9-1-4-11(5-2-9)19-8-14(18)12-6-3-10(16)7-13(12)17/h1-7,16-17H,8H2
InChIKeyDDBGVQHDFCGXGM-UHFFFAOYSA-N
XLogP3.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone (CID 2066126) is 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone is O=C(COc1ccc(Cl)cc1)c1ccc(O)cc1O.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is DDBGVQHDFCGXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c15-9-1-4-11(5-2-9)19-8-14(18)12-6-3-10(16)7-13(12)17/h1-7,16-17H,8H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone?
2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 278.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 2066126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).