1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol

C16H17ClFNO2 — CID 114454284

IUPAC1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cc(F)cc(Cl)c2)c1C
InChIInChI=1S/C16H17ClFNO2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)11-4-12(17)6-13(18)5-11/h4-6,8,15,20H,7H2,1-3H3
InChIKeyRKVAARFKCICDJG-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol

1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (PubChem CID 114454284) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
PubChem CID114454284
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cc(F)cc(Cl)c2)c1C
InChIInChI=1S/C16H17ClFNO2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)11-4-12(17)6-13(18)5-11/h4-6,8,15,20H,7H2,1-3H3
InChIKeyRKVAARFKCICDJG-UHFFFAOYSA-N
XLogP3.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (CID 114454284) is 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is COc1c(C)cnc(CC(O)c2cc(F)cc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The InChIKey is RKVAARFKCICDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)11-4-12(17)6-13(18)5-11/h4-6,8,15,20H,7H2,1-3H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol has a molecular weight of 309.77 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).