1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol

C14H17ClO3 — CID 105130466

IUPAC1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
SMILESCCOCCCC(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H17ClO3/c1-2-17-8-4-7-12(16)13-9-10-5-3-6-11(15)14(10)18-13/h3,5-6,9,12,16H,2,4,7-8H2,1H3
InChIKeyVOWVITUVUQVVMU-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.94
Rot. Bonds6

About 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol

1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol (PubChem CID 105130466) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
PubChem CID105130466
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
SMILESCCOCCCC(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H17ClO3/c1-2-17-8-4-7-12(16)13-9-10-5-3-6-11(15)14(10)18-13/h3,5-6,9,12,16H,2,4,7-8H2,1H3
InChIKeyVOWVITUVUQVVMU-UHFFFAOYSA-N
XLogP3.94
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
CID 105129637
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol (CID 105130466) is 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol is CCOCCCC(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol?
The InChIKey is VOWVITUVUQVVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-2-17-8-4-7-12(16)13-9-10-5-3-6-11(15)14(10)18-13/h3,5-6,9,12,16H,2,4,7-8H2,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol?
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol has a molecular weight of 268.74 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol is sourced from PubChem (CID 105130466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).