1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol

C15H12Cl2F2O — CID 63407181

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2F2O/c1-8-3-4-13(18)10(5-8)15(2,20)9-6-14(19)12(17)7-11(9)16/h3-7,20H,1-2H3
InChIKeyQPYQQGFONHMWGI-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.84
Rot. Bonds2

About 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol

1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol (PubChem CID 63407181) has the molecular formula C15H12Cl2F2O and a molecular weight of 317.16 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
PubChem CID63407181
Molecular FormulaC15H12Cl2F2O
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2F2O/c1-8-3-4-13(18)10(5-8)15(2,20)9-6-14(19)12(17)7-11(9)16/h3-7,20H,1-2H3
InChIKeyQPYQQGFONHMWGI-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 54.84
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-(2-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol (CID 63407181) is 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol is Cc1ccc(F)c(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol?
The InChIKey is QPYQQGFONHMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2O/c1-8-3-4-13(18)10(5-8)15(2,20)9-6-14(19)12(17)7-11(9)16/h3-7,20H,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol?
1-(2,4-dichloro-5-fluorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol has a molecular weight of 317.16 g/mol, XLogP of 4.84, 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-(2-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 63407181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).