(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol

C16H14ClNO2 — CID 114727190

IUPAC(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol
SMILESCCc1cnccc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H14ClNO2/c1-2-10-9-18-7-6-12(10)15(19)14-8-11-4-3-5-13(17)16(11)20-14/h3-9,15,19H,2H2,1H3
InChIKeySNPKCVRNBJVCBA-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.13
Rot. Bonds3

About (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol

(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol (PubChem CID 114727190) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol
PubChem CID114727190
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol
SMILESCCc1cnccc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H14ClNO2/c1-2-10-9-18-7-6-12(10)15(19)14-8-11-4-3-5-13(17)16(11)20-14/h3-9,15,19H,2H2,1H3
InChIKeySNPKCVRNBJVCBA-UHFFFAOYSA-N
XLogP4.13
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288
(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
CID 105130440
[(3-ethyl-4-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262308
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114724689
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol (CID 114727190) is (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol is CCc1cnccc1C(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol?
The InChIKey is SNPKCVRNBJVCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-10-9-18-7-6-12(10)15(19)14-8-11-4-3-5-13(17)16(11)20-14/h3-9,15,19H,2H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol has a molecular weight of 287.75 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol is sourced from PubChem (CID 114727190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).