2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol

C16H17ClFNO — CID 114851952

IUPAC2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1ccc(C(O)Cc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-19(2)14-7-4-11(5-8-14)16(20)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,9H2,1-2H3
InChIKeyDZQBJTZXRWCJSC-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol

2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol (PubChem CID 114851952) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
PubChem CID114851952
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1ccc(C(O)Cc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-19(2)14-7-4-11(5-8-14)16(20)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,9H2,1-2H3
InChIKeyDZQBJTZXRWCJSC-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol (CID 114851952) is 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol is CN(C)c1ccc(C(O)Cc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol?
The InChIKey is DZQBJTZXRWCJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-19(2)14-7-4-11(5-8-14)16(20)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,9H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol?
2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol has a molecular weight of 293.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol is sourced from PubChem (CID 114851952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).