3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine

C18H19Cl2NO3 — CID 21187965

IUPAC3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine
SMILESCOc1ccc(OCc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H19Cl2NO3/c1-22-17-7-6-13(8-18(17)24-12-4-2-3-5-12)23-11-14-15(19)9-21-10-16(14)20/h6-10,12H,2-5,11H2,1H3
InChIKeyVQLMLDINIIWSNC-UHFFFAOYSA-N
MW368.26 g/mol
LogP5.30
Rot. Bonds6

About 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine

3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine (PubChem CID 21187965) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine
PubChem CID21187965
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine
SMILESCOc1ccc(OCc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H19Cl2NO3/c1-22-17-7-6-13(8-18(17)24-12-4-2-3-5-12)23-11-14-15(19)9-21-10-16(14)20/h6-10,12H,2-5,11H2,1H3
InChIKeyVQLMLDINIIWSNC-UHFFFAOYSA-N
XLogP5.30
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.26
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine 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

(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride
CID 22123182
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-hydroxybenzoate
CID 141230430
1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
CID 21221257
N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide
CID 22123188
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
CID 54051330
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
2-(3-chloro-4-fluorophenoxy)-N-(3-cyclopentyloxy-4-methoxyphenyl)acetamide
CID 31873416
5-cyclopentyloxy-1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-3-oxidophthalazin-3-ium
CID 18504826
(NZ)-N-[2-chloro-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 87638358
2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
CID 142942613

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine?
The IUPAC name of 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine (CID 21187965) is 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine.
What is the SMILES notation for 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine?
The canonical SMILES for 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine is COc1ccc(OCc2c(Cl)cncc2Cl)cc1OC1CCCC1.
What is the InChIKey of 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine?
The InChIKey is VQLMLDINIIWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-22-17-7-6-13(8-18(17)24-12-4-2-3-5-12)23-11-14-15(19)9-21-10-16(14)20/h6-10,12H,2-5,11H2,1H3.
What are the key properties of 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine?
3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine has a molecular weight of 368.26 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine is sourced from PubChem (CID 21187965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).