2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol

C13H10Cl2O3 — CID 23656595

IUPAC2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
SMILESOCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H10Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,16-17H,7H2
InChIKeyGILJPGZIIDINED-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.98
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol

2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol (PubChem CID 23656595) has the molecular formula C13H10Cl2O3 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
PubChem CID23656595
Molecular FormulaC13H10Cl2O3
Molecular Weight285.13 g/mol
Exact Mass284.00
IUPAC Name2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
SMILESOCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H10Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,16-17H,7H2
InChIKeyGILJPGZIIDINED-UHFFFAOYSA-N
XLogP3.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol (CID 23656595) is 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol is OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol?
The InChIKey is GILJPGZIIDINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,16-17H,7H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol?
2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol has a molecular weight of 285.13 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol is sourced from PubChem (CID 23656595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).