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

C10H11ClO2 — CID 69306515

IUPAC2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol
SMILESOCCC1OCc2cc(Cl)ccc21
InChIInChI=1S/C10H11ClO2/c11-8-1-2-9-7(5-8)6-13-10(9)3-4-12/h1-2,5,10,12H,3-4,6H2
InChIKeyXHVRWIWDBIVBIY-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.29
Rot. Bonds2

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

2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol (PubChem CID 69306515) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol
PubChem CID69306515
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol
SMILESOCCC1OCc2cc(Cl)ccc21
InChIInChI=1S/C10H11ClO2/c11-8-1-2-9-7(5-8)6-13-10(9)3-4-12/h1-2,5,10,12H,3-4,6H2
InChIKeyXHVRWIWDBIVBIY-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol?
The IUPAC name of 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol (CID 69306515) is 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol is OCCC1OCc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol?
The InChIKey is XHVRWIWDBIVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-8-1-2-9-7(5-8)6-13-10(9)3-4-12/h1-2,5,10,12H,3-4,6H2.
What are the key properties of 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol?
2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol has a molecular weight of 198.65 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol is sourced from PubChem (CID 69306515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).