1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol

C14H17ClO3 — CID 105129366

IUPAC1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H17ClO3/c1-9(17-2)3-5-12(16)14-8-10-7-11(15)4-6-13(10)18-14/h4,6-9,12,16H,3,5H2,1-2H3
InChIKeyKDTLODXTFZEXIT-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.93
Rot. Bonds5

About 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol

1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol (PubChem CID 105129366) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
PubChem CID105129366
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H17ClO3/c1-9(17-2)3-5-12(16)14-8-10-7-11(15)4-6-13(10)18-14/h4,6-9,12,16H,3,5H2,1-2H3
InChIKeyKDTLODXTFZEXIT-UHFFFAOYSA-N
XLogP3.93
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105185660
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
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-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
[1-(5-fluoro-1-benzofuran-2-yl)-4-methoxypentyl]hydrazine
CID 105338684
1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114727014
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217135
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol
CID 114727353

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol (CID 105129366) is 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol is COC(C)CCC(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol?
The InChIKey is KDTLODXTFZEXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-9(17-2)3-5-12(16)14-8-10-7-11(15)4-6-13(10)18-14/h4,6-9,12,16H,3,5H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol?
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol has a molecular weight of 268.74 g/mol, XLogP of 3.93, 5 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)-4-methoxypentan-1-ol is sourced from PubChem (CID 105129366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).