2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol

C15H19ClO3 — CID 115830818

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C15H19ClO3/c16-12-7-10-4-6-19-15(10)11(8-12)9-13(17)14-3-1-2-5-18-14/h7-8,13-14,17H,1-6,9H2
InChIKeyDKRRCGRFOOYXSP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.75
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol (PubChem CID 115830818) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
PubChem CID115830818
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C15H19ClO3/c16-12-7-10-4-6-19-15(10)11(8-12)9-13(17)14-3-1-2-5-18-14/h7-8,13-14,17H,1-6,9H2
InChIKeyDKRRCGRFOOYXSP-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
CID 113425437
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)ethanamine
CID 105031399
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105031427
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105332489
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanol
CID 104543084

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol (CID 115830818) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol is OC(Cc1cc(Cl)cc2c1OCC2)C1CCCCO1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol?
The InChIKey is DKRRCGRFOOYXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c16-12-7-10-4-6-19-15(10)11(8-12)9-13(17)14-3-1-2-5-18-14/h7-8,13-14,17H,1-6,9H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol has a molecular weight of 282.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol is sourced from PubChem (CID 115830818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).