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

C15H13Cl2FO — CID 21499519

IUPAC2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FO/c16-12-3-6-14(15(17)8-12)11(9-19)7-10-1-4-13(18)5-2-10/h1-6,8,11,19H,7,9H2
InChIKeyAQRCAZXELDTVFV-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.45
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol (PubChem CID 21499519) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol
PubChem CID21499519
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FO/c16-12-3-6-14(15(17)8-12)11(9-19)7-10-1-4-13(18)5-2-10/h1-6,8,11,19H,7,9H2
InChIKeyAQRCAZXELDTVFV-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol (CID 21499519) is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol is OCC(Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is AQRCAZXELDTVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c16-12-3-6-14(15(17)8-12)11(9-19)7-10-1-4-13(18)5-2-10/h1-6,8,11,19H,7,9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol?
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 299.17 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 21499519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).