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

C16H18ClNO2 — CID 62607399

IUPAC1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cccc(Cl)c2)c1C
InChIInChI=1S/C16H18ClNO2/c1-10-9-18-14(11(2)16(10)20-3)8-15(19)12-5-4-6-13(17)7-12/h4-7,9,15,19H,8H2,1-3H3
InChIKeyHFMUACQPFQUREY-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.64
Rot. Bonds4

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

1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (PubChem CID 62607399) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
PubChem CID62607399
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cccc(Cl)c2)c1C
InChIInChI=1S/C16H18ClNO2/c1-10-9-18-14(11(2)16(10)20-3)8-15(19)12-5-4-6-13(17)7-12/h4-7,9,15,19H,8H2,1-3H3
InChIKeyHFMUACQPFQUREY-UHFFFAOYSA-N
XLogP3.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (CID 62607399) is 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is COc1c(C)cnc(CC(O)c2cccc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The InChIKey is HFMUACQPFQUREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10-9-18-14(11(2)16(10)20-3)8-15(19)12-5-4-6-13(17)7-12/h4-7,9,15,19H,8H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 62607399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).