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

C17H17Cl2FO — CID 63407051

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(CC(C)(O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2FO/c1-3-11-4-6-12(7-5-11)10-17(2,21)13-8-16(20)15(19)9-14(13)18/h4-9,21H,3,10H2,1-2H3
InChIKeyIQFINYORYIXMHL-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.15
Rot. Bonds4

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

2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol (PubChem CID 63407051) has the molecular formula C17H17Cl2FO and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
PubChem CID63407051
Molecular FormulaC17H17Cl2FO
Molecular Weight327.23 g/mol
Exact Mass326.06
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(CC(C)(O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2FO/c1-3-11-4-6-12(7-5-11)10-17(2,21)13-8-16(20)15(19)9-14(13)18/h4-9,21H,3,10H2,1-2H3
InChIKeyIQFINYORYIXMHL-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.15
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 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol (CID 63407051) is 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol is CCc1ccc(CC(C)(O)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol?
The InChIKey is IQFINYORYIXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FO/c1-3-11-4-6-12(7-5-11)10-17(2,21)13-8-16(20)15(19)9-14(13)18/h4-9,21H,3,10H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol?
2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol has a molecular weight of 327.23 g/mol, XLogP of 5.15, 4 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-(4-ethylphenyl)propan-2-ol is sourced from PubChem (CID 63407051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).