1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol

C16H15Cl2FO — CID 63407138

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2FO/c1-9-4-10(2)6-11(5-9)16(3,20)12-7-15(19)14(18)8-13(12)17/h4-8,20H,1-3H3
InChIKeyQOVXFQMXUYAFHT-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.01
Rot. Bonds2

About 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol

1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol (PubChem CID 63407138) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol
PubChem CID63407138
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2FO/c1-9-4-10(2)6-11(5-9)16(3,20)12-7-15(19)14(18)8-13(12)17/h4-8,20H,1-3H3
InChIKeyQOVXFQMXUYAFHT-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.01
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol (CID 63407138) is 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is QOVXFQMXUYAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c1-9-4-10(2)6-11(5-9)16(3,20)12-7-15(19)14(18)8-13(12)17/h4-8,20H,1-3H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol?
1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol has a molecular weight of 313.20 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 63407138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).