2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol

C15H13Cl2FO — CID 21406774

IUPAC2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C15H13Cl2FO/c1-9(8-19)10-2-4-13(15(18)6-10)12-5-3-11(16)7-14(12)17/h2-7,9,19H,8H2,1H3
InChIKeyYWJLZSONKOQKLO-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.90
Rot. Bonds3

About 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol

2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol (PubChem CID 21406774) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol
PubChem CID21406774
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C15H13Cl2FO/c1-9(8-19)10-2-4-13(15(18)6-10)12-5-3-11(16)7-14(12)17/h2-7,9,19H,8H2,1H3
InChIKeyYWJLZSONKOQKLO-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol (CID 21406774) is 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol is CC(CO)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol?
The InChIKey is YWJLZSONKOQKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-9(8-19)10-2-4-13(15(18)6-10)12-5-3-11(16)7-14(12)17/h2-7,9,19H,8H2,1H3.
What are the key properties of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol?
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol has a molecular weight of 299.17 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propan-1-ol is sourced from PubChem (CID 21406774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).