2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol

C12H15Cl2FO — CID 60928779

IUPAC2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2FO/c1-7(2)6-12(3,16)8-4-11(15)10(14)5-9(8)13/h4-5,7,16H,6H2,1-3H3
InChIKeyGUGJUMUXYBMUCT-UHFFFAOYSA-N
MW265.15 g/mol
LogP4.39
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol

2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol (PubChem CID 60928779) has the molecular formula C12H15Cl2FO and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
PubChem CID60928779
Molecular FormulaC12H15Cl2FO
Molecular Weight265.15 g/mol
Exact Mass264.05
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2FO/c1-7(2)6-12(3,16)8-4-11(15)10(14)5-9(8)13/h4-5,7,16H,6H2,1-3H3
InChIKeyGUGJUMUXYBMUCT-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 54.39
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

1,1-Bis(4-chlorophenyl)ethanol
CID 6624
Phenaglycodol
CID 6617
Fenpentadiol
CID 85896
4-Chloro-alpha-(4-chlorophenyl)-alpha-(trifluoromethyl)benzenemethanol
CID 96881
2,4-Dichloro-alpha-methylbenzenemethanol
CID 92889
1-(4-Chlorophenyl)-1-phenylethanol
CID 14189996
o,p'-Dicofol
CID 91566
4-Chloro-alpha-cyclopropyl-alpha-methylbenzenemethanol
CID 23463
p-Chloro-alpha,alpha-dimethylbenzyl alcohol
CID 74808
Benzhydrol, 4,4'-dichloro-alpha-fluoromethyl-
CID 260392
Bis(4-chlorophenyl)-(3-fluorophenyl)methanol
CID 2758117
(1R)-1-(2,4-dichlorophenyl)ethan-1-ol
CID 6950773

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol (CID 60928779) is 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol is CC(C)CC(C)(O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol?
The InChIKey is GUGJUMUXYBMUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FO/c1-7(2)6-12(3,16)8-4-11(15)10(14)5-9(8)13/h4-5,7,16H,6H2,1-3H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol?
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol has a molecular weight of 265.15 g/mol, XLogP of 4.39, 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)-4-methylpentan-2-ol is sourced from PubChem (CID 60928779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).