1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol

C14H14ClNO2 — CID 175567565

IUPAC1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H14ClNO2/c1-14(17,11-5-8-13(15)16-9-11)10-3-6-12(18-2)7-4-10/h3-9,17H,1-2H3
InChIKeyIMCRRGLDCIALQX-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.00
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol

1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol (PubChem CID 175567565) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
PubChem CID175567565
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H14ClNO2/c1-14(17,11-5-8-13(15)16-9-11)10-3-6-12(18-2)7-4-10/h3-9,17H,1-2H3
InChIKeyIMCRRGLDCIALQX-UHFFFAOYSA-N
XLogP3.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.00
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

1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
CID 170080996
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol
CID 114633513
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63155579
2-(6-chloro-3-pyridinyl)propan-2-amine
CID 57370214
4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine
CID 87802772
1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
CID 57391481
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
1-(2,3-dihydrofuran-5-yl)-1-(4-methoxyphenyl)ethanol
CID 102650458
5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine
CID 174385685

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol (CID 175567565) is 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is IMCRRGLDCIALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-14(17,11-5-8-13(15)16-9-11)10-3-6-12(18-2)7-4-10/h3-9,17H,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol?
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 263.72 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 175567565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).