1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol

C14H15ClO3 — CID 114727353

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H15ClO3/c1-17-14(8-2-3-8)13(16)12-7-9-6-10(15)4-5-11(9)18-12/h4-8,13-14,16H,2-3H2,1H3
InChIKeyLVEDKPIMAILJOS-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol

1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol (PubChem CID 114727353) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol
PubChem CID114727353
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H15ClO3/c1-17-14(8-2-3-8)13(16)12-7-9-6-10(15)4-5-11(9)18-12/h4-8,13-14,16H,2-3H2,1H3
InChIKeyLVEDKPIMAILJOS-UHFFFAOYSA-N
XLogP3.54
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
CID 105185669
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol (CID 114727353) is 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol is COC(C1CC1)C(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol?
The InChIKey is LVEDKPIMAILJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c1-17-14(8-2-3-8)13(16)12-7-9-6-10(15)4-5-11(9)18-12/h4-8,13-14,16H,2-3H2,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol?
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol has a molecular weight of 266.72 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol is sourced from PubChem (CID 114727353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).