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

C16H23Cl2FO — CID 63407052

IUPAC2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2FO/c1-4-6-7-11(5-2)10-16(3,20)12-8-15(19)14(18)9-13(12)17/h8-9,11,20H,4-7,10H2,1-3H3
InChIKeyIUDSRLYIYWNUIN-UHFFFAOYSA-N
MW321.26 g/mol
LogP5.95
Rot. Bonds7

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

2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol (PubChem CID 63407052) has the molecular formula C16H23Cl2FO and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol
PubChem CID63407052
Molecular FormulaC16H23Cl2FO
Molecular Weight321.26 g/mol
Exact Mass320.11
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2FO/c1-4-6-7-11(5-2)10-16(3,20)12-8-15(19)14(18)9-13(12)17/h8-9,11,20H,4-7,10H2,1-3H3
InChIKeyIUDSRLYIYWNUIN-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.26
LogP ≤ 55.95
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

2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
CID 63407051
1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 63407265
2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
CID 83173013
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
ethyl 3-(2,4-dichloro-5-fluorophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366289
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
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62774391
2-(2,4-dichloro-5-fluorophenyl)-3-methylbut-3-en-2-ol
CID 79190116
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol (CID 63407052) is 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol is CCCCC(CC)CC(C)(O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol?
The InChIKey is IUDSRLYIYWNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2FO/c1-4-6-7-11(5-2)10-16(3,20)12-8-15(19)14(18)9-13(12)17/h8-9,11,20H,4-7,10H2,1-3H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol?
2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol has a molecular weight of 321.26 g/mol, XLogP of 5.95, 7 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-ethyloctan-2-ol is sourced from PubChem (CID 63407052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).