1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol

C15H13Cl2FO2 — CID 154637183

IUPAC1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol
SMILESOCCC(O)c1ccccc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FO2/c16-12-8-13(17)14(18)7-11(12)9-3-1-2-4-10(9)15(20)5-6-19/h1-4,7-8,15,19-20H,5-6H2
InChIKeyAXYFBBIEPFVLFD-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.22
Rot. Bonds4

About 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol

1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol (PubChem CID 154637183) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol.

Molecular Properties

Compound Name1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol
PubChem CID154637183
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol
SMILESOCCC(O)c1ccccc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FO2/c16-12-8-13(17)14(18)7-11(12)9-3-1-2-4-10(9)15(20)5-6-19/h1-4,7-8,15,19-20H,5-6H2
InChIKeyAXYFBBIEPFVLFD-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

CID 7033
CID 7033
CID 8401
CID 8401
CID 92889
CID 92889
CID 235819
CID 235819
CID 11557536
CID 11557536
CID 11344814
CID 11344814
CID 42056
CID 42056
CID 260392
CID 260392
CID 248607
CID 248607
CID 25061372
CID 25061372
CID 6950773
CID 6950773
CID 12634874
CID 12634874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol?
The IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol (CID 154637183) is 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol.
What is the SMILES notation for 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol?
The canonical SMILES for 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol is OCCC(O)c1ccccc1-c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol?
The InChIKey is AXYFBBIEPFVLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c16-12-8-13(17)14(18)7-11(12)9-3-1-2-4-10(9)15(20)5-6-19/h1-4,7-8,15,19-20H,5-6H2.
What are the key properties of 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol?
1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol has a molecular weight of 315.17 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloro-5-fluorophenyl)phenyl]propane-1,3-diol is sourced from PubChem (CID 154637183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).