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

C16H18FNO2 — CID 63085403

IUPAC1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2ccccc2F)c1C
InChIInChI=1S/C16H18FNO2/c1-10-9-18-14(11(2)16(10)20-3)8-15(19)12-6-4-5-7-13(12)17/h4-7,9,15,19H,8H2,1-3H3
InChIKeyOLFUSPCALCLRDN-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.12
Rot. Bonds4

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

1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (PubChem CID 63085403) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
PubChem CID63085403
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2ccccc2F)c1C
InChIInChI=1S/C16H18FNO2/c1-10-9-18-14(11(2)16(10)20-3)8-15(19)12-6-4-5-7-13(12)17/h4-7,9,15,19H,8H2,1-3H3
InChIKeyOLFUSPCALCLRDN-UHFFFAOYSA-N
XLogP3.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (CID 63085403) is 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is COc1c(C)cnc(CC(O)c2ccccc2F)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The InChIKey is OLFUSPCALCLRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-9-18-14(11(2)16(10)20-3)8-15(19)12-6-4-5-7-13(12)17/h4-7,9,15,19H,8H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol has a molecular weight of 275.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 63085403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).