1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol

C16H14ClNO3 — CID 114727014

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(CC(O)c2cc3cc(Cl)ccc3o2)cn1
InChIInChI=1S/C16H14ClNO3/c1-20-16-5-2-10(9-18-16)6-13(19)15-8-11-7-12(17)3-4-14(11)21-15/h2-5,7-9,13,19H,6H2,1H3
InChIKeyUFIHXHZZKQNWQF-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.77
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol

1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 114727014) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
PubChem CID114727014
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(CC(O)c2cc3cc(Cl)ccc3o2)cn1
InChIInChI=1S/C16H14ClNO3/c1-20-16-5-2-10(9-18-16)6-13(19)15-8-11-7-12(17)3-4-14(11)21-15/h2-5,7-9,13,19H,6H2,1H3
InChIKeyUFIHXHZZKQNWQF-UHFFFAOYSA-N
XLogP3.77
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol with MolForge

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 82823117
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
methyl 4-[2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyethoxy]benzoate
CID 15337970
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038983
1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740534

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol (CID 114727014) is 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol is COc1ccc(CC(O)c2cc3cc(Cl)ccc3o2)cn1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is UFIHXHZZKQNWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-20-16-5-2-10(9-18-16)6-13(19)15-8-11-7-12(17)3-4-14(11)21-15/h2-5,7-9,13,19H,6H2,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 303.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 114727014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).