1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol

C16H18ClNO3 — CID 82887022

IUPAC1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1cc(C)nc(COc2ccc(Cl)cc2C(C)O)c1
InChIInChI=1S/C16H18ClNO3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8,11,19H,9H2,1-3H3
InChIKeyWGPKDUBDPWXLCK-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.68
Rot. Bonds5

About 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol

1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 82887022) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID82887022
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1cc(C)nc(COc2ccc(Cl)cc2C(C)O)c1
InChIInChI=1S/C16H18ClNO3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8,11,19H,9H2,1-3H3
InChIKeyWGPKDUBDPWXLCK-UHFFFAOYSA-N
XLogP3.68
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-chloro-2-[(4-methoxy-6-methyl-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

Related Compounds

(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705
(1R)-1-[5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82888691
(1S)-1-[5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82888692
1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82887023
1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-4-methylphenyl]ethanol
CID 82888130
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 82887878
(1S)-1-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82892794
1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol (CID 82887022) is 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol is COc1cc(C)nc(COc2ccc(Cl)cc2C(C)O)c1.
What is the InChIKey of 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is WGPKDUBDPWXLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8,11,19H,9H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 307.78 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82887022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).