2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol

C14H13Cl2NO2 — CID 104743978

IUPAC2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO2/c15-12-5-6-14(16)17-13(12)9-19-11-3-1-10(2-4-11)7-8-18/h1-6,18H,7-9H2
InChIKeyOAELIPCETKTCAU-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.50
Rot. Bonds5

About 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol

2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 104743978) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID104743978
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO2/c15-12-5-6-14(16)17-13(12)9-19-11-3-1-10(2-4-11)7-8-18/h1-6,18H,7-9H2
InChIKeyOAELIPCETKTCAU-UHFFFAOYSA-N
XLogP3.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935
4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
CID 55127310
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
CID 62887008
2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 103520351
[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 115493212
5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62887232
5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 55127794
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
CID 55127453

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol (CID 104743978) is 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol is OCCc1ccc(OCc2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is OAELIPCETKTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-12-5-6-14(16)17-13(12)9-19-11-3-1-10(2-4-11)7-8-18/h1-6,18H,7-9H2.
What are the key properties of 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol?
2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 298.17 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 104743978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).