(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol

C17H21NO3 — CID 78933376

IUPAC(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1c(C)cnc(COc2ccc([C@H](C)O)cc2)c1C
InChIInChI=1S/C17H21NO3/c1-11-9-18-16(12(2)17(11)20-4)10-21-15-7-5-14(6-8-15)13(3)19/h5-9,13,19H,10H2,1-4H3/t13-/m0/s1
InChIKeyNQOIUXTZFNNHRA-ZDUSSCGKSA-N
MW287.36 g/mol
LogP3.34
Rot. Bonds5

About (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol

(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 78933376) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID78933376
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1c(C)cnc(COc2ccc([C@H](C)O)cc2)c1C
InChIInChI=1S/C17H21NO3/c1-11-9-18-16(12(2)17(11)20-4)10-21-15-7-5-14(6-8-15)13(3)19/h5-9,13,19H,10H2,1-4H3/t13-/m0/s1
InChIKeyNQOIUXTZFNNHRA-ZDUSSCGKSA-N
XLogP3.34
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol (CID 78933376) is (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol is COc1c(C)cnc(COc2ccc([C@H](C)O)cc2)c1C.
What is the InChIKey of (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is NQOIUXTZFNNHRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-9-18-16(12(2)17(11)20-4)10-21-15-7-5-14(6-8-15)13(3)19/h5-9,13,19H,10H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol?
(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 287.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78933376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).