2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol

C15H12Cl2F2O — CID 63406675

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F2O/c1-15(20,8-9-4-2-3-5-13(9)18)10-6-14(19)12(17)7-11(10)16/h2-7,20H,8H2,1H3
InChIKeyZQCGHARMNMXKFJ-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.72
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol

2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol (PubChem CID 63406675) has the molecular formula C15H12Cl2F2O and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
PubChem CID63406675
Molecular FormulaC15H12Cl2F2O
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F2O/c1-15(20,8-9-4-2-3-5-13(9)18)10-6-14(19)12(17)7-11(10)16/h2-7,20H,8H2,1H3
InChIKeyZQCGHARMNMXKFJ-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094
1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146594
1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 63407265
2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
CID 63407051
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146324
2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
CID 83173013
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
2-(3,4-difluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832741
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol (CID 63406675) is 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol is CC(O)(Cc1ccccc1F)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol?
The InChIKey is ZQCGHARMNMXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2O/c1-15(20,8-9-4-2-3-5-13(9)18)10-6-14(19)12(17)7-11(10)16/h2-7,20H,8H2,1H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol?
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol has a molecular weight of 317.16 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 63406675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).